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50 hits found in 0.50 seconds.
Search terms: C20H28ClN5O3

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:

1.13

-1.44

0.26

InChI=1/C20H27N5O3.ClH/c1-5-24(6-2)12-13-25-15-17(22(3)20(28)23(4)19(15)27)21-18(25)16(26)14-10-8-7-9-11-14;/h7-11,16,26H,5-6,12-13H2,1-4H3;1H

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:

1.43

-1.64

-0.91

InChI=1/C20H28ClN5O3/c1-24(2)10-9-22-19(27)17-14-29-18(23-17)13-26(12-11-25(3)4)20(28)15-7-5-6-8-16(15)21/h5-8,14H,9-13H2,1-4H3,(H,22,27)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.80
XLogP:	1.20

-3.27

-1.16

InChI=1/C20H28ClN5O3/c1-13-18(21)19(26(28)29)22-25(13)12-17(27)23-2-4-24(5-3-23)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,2-12H2,1H3

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	3.17
XLogP:	3.40

InChI=1/C20H28ClN5O3/c1-4-6-10-26-18(22)17(19(28)23-20(26)29)25(5-2)16(27)13-24(3)12-14-8-7-9-15(21)11-14/h7-9,11H,4-6,10,12-13,22H2,1-3H3,(H,23,28,29)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.48
XLogP:	2.30

-0.11

0.46

InChI=1/C20H28ClN5O3/c1-4-6-11-26-18(22)17(19(28)23-20(26)29)25(5-2)16(27)13-24(3)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-13,22H2,1-3H3,(H,23,28,29)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.48
XLogP:	2.30

-0.17

0.46

InChI=1/C20H28ClN5O3/c1-4-6-11-26-18(22)17(19(28)23-20(26)29)25(5-2)16(27)13-24(3)12-14-9-7-8-10-15(14)21/h7-10H,4-6,11-13,22H2,1-3H3,(H,23,28,29)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.48
XLogP:	2.30

-0.02

0.47

InChI=1/C20H28ClN5O3/c1-4-6-11-26-18(22)17(19(28)24-20(26)29)25(5-2)16(27)12-23-13(3)14-9-7-8-10-15(14)21/h7-10,13,23H,4-6,11-12,22H2,1-3H3,(H,24,28,29)/t13-/m0/s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.37
XLogP:	2.60

-0.23

0.35

InChI=1/C20H28ClN5O3/c1-4-6-11-26-18(22)17(19(28)24-20(26)29)25(5-2)16(27)12-23-13(3)14-9-7-8-10-15(14)21/h7-10,13,23H,4-6,11-12,22H2,1-3H3,(H,24,28,29)/t13-/m1/s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.37
XLogP:	2.60

-0.23

0.35

InChI=1/C20H28ClN5O3/c1-5-22-17(27)11-25(6-2)13-19(28)26(14(3)4)12-18-23-24-20(29-18)15-9-7-8-10-16(15)21/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,27)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	1.68
XLogP:	3.50

InChI=1/C20H28ClN5O3/c1-11(2)10-26-19(21)16(12(3)24-26)8-9-17(27)29-15(6)20(28)22-18-13(4)23-25(7)14(18)5/h8-9,11,15H,10H2,1-7H3,(H,22,28)/b9-8+/t15-/m0/s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	2.60
XLogP:	3.10

InChI=1/C20H28ClN5O3/c1-4-5-10-25(16(27)11-23-15-9-7-6-8-14(15)21)17-18(22)26(12-13(2)3)20(29)24-19(17)28/h6-9,13,23H,4-5,10-12,22H2,1-3H3,(H,24,28,29)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.21
XLogP:	2.80

0.21

0.21

InChI=1/C20H28ClN5O3/c1-4-5-9-25(16(27)11-23-15-8-6-7-14(21)10-15)17-18(22)26(12-13(2)3)20(29)24-19(17)28/h6-8,10,13,23H,4-5,9,11-12,22H2,1-3H3,(H,24,28,29)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	0.84
XLogP:	2.80

0.83

0.84

InChI=1/C20H28ClN5O3/c1-12-3-13(2)26(25-12)10-17(28)24-23-16(27)9-22-18(29)19-5-14-4-15(6-19)8-20(21,7-14)11-19/h3,14-15H,4-11H2,1-2H3,(H,22,29)(H,23,27)(H,24,28)/t14-,15+,19?,20?

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	1.24
XLogP:	1.50

InChI=1/C20H28ClN5O3/c1-2-3-4-11-5-7-13(8-6-11)23-20-25-18(21)15(22)19(26-20)24-14-9-12(10-27)16(28)17(14)29/h5-8,12,14,16-17,27-29H,2-4,9-10,22H2,1H3,(H2,23,24,25,26)/t12-,14-,16-,17-/m1/s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:

1.90

1.89

1.89

InChI=1/C20H28ClN5O3/c1-14(2)23-24-18-9-10-19(26-25-18)29-13-20(3,4)22-11-15(27)12-28-17-8-6-5-7-16(17)21/h5-10,15,22,27H,11-13H2,1-4H3,(H,24,25)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	1.72
XLogP:	4.30

-0.18

1.45

InChI=1/C20H28ClN5O3/c1-3-15-10-19(25(2)24-15)23-20(28)22-16(13-27)8-9-26-11-18(12-26)29-17-6-4-14(21)5-7-17/h4-7,10,16,18,27H,3,8-9,11-13H2,1-2H3,(H2,22,23,28)/t16-/m0/s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	2.30
XLogP:	2.10

-0.24

1.46

InChI=1/C20H28ClN5O3/c1-14-24-26(19(28)25(14)11-10-22)15-6-7-17(21)16(12-15)18(27)23-13-20(29)8-4-2-3-5-9-20/h6-7,12,29H,2-5,8-11,13,22H2,1H3,(H,23,27)

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	1.46
XLogP:	2.60

-1.63

-1.18

InChI=1/C20H28ClN5O3/c1-14(2)23-24-18-9-10-19(26-25-18)29-13-20(3,4)22-11-15(27)12-28-17-8-6-5-7-16(17)21/h5-10,15,22,27H,11-13H2,1-4H3,(H,24,25)/t15-/m0/s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:	1.72
XLogP:	4.30

-0.18

1.45

InChI=1/C20H27N5O3.ClH/c1-28-19(26)13-24-20(27)18(21)9-6-12-25(14-16-7-2-4-10-22-16)15-17-8-3-5-11-23-17;/h2-5,7-8,10-11,18H,6,9,12-15,21H2,1H3,(H,24,27);1H/t18-;/m0./s1

C₂₀H₂₈ClN₅O₃

421.921

421.188067

ACD/LogP:

0.08

1

Royal Society of Chemistry