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54 hits found in 0.13 seconds.
Search terms: C22H16BrNO4S

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/C22H16BrNO4S/c1-26-18-9-8-14(12-19(18)27-13-15-5-2-3-6-16(15)23)11-17-22(25)28-21(24-17)20-7-4-10-29-20/h2-12H,13H2,1H3/b17-11-

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.81
XLogP:	4.90

5.81

5.81

InChI=1/C22H16BrNO4S/c1-26-18-12-15(10-16(23)20(18)27-13-14-6-3-2-4-7-14)11-17-22(25)28-21(24-17)19-8-5-9-29-19/h2-12H,13H2,1H3/b17-11-

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.80
XLogP:	4.90

5.8

5.8

InChI=1/C22H16BrNO4S/c23-13-8-10-14(11-9-13)29(26,27)24-18-12-17-21-19(25)6-3-7-20(21)28-22(17)16-5-2-1-4-15(16)18/h1-2,4-5,8-12,24H,3,6-7H2

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.69
XLogP:	4.60

5.69

5.44

InChI=1/C22H16BrNO4S/c23-18-12-15(11-17-21-19(25)6-3-7-20(21)28-22(17)18)24-29(26,27)16-9-8-13-4-1-2-5-14(13)10-16/h1-2,4-5,8-12,24H,3,6-7H2

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.86
XLogP:	4.60

5.83

5.04

InChI=1/C22H16BrNO4S/c1-2-27-22(26)19-16(13-7-9-15(23)10-8-13)12-29-21(19)24-20(25)18-11-14-5-3-4-6-17(14)28-18/h3-12H,2H2,1H3,(H,24,25)

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	6.81
XLogP:	5.80

6.81

6.8

InChI=1/C22H16BrNO4S/c1-12(2)21(25)27-16-8-5-14-9-17(22(26)28-19(14)10-16)20-24-18(11-29-20)13-3-6-15(23)7-4-13/h3-12H,1-2H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.28
XLogP:	5.20

5.28

5.28

InChI=1/C22H16BrNO4S/c23-17-12-14(11-16-21-18(25)8-4-9-19(21)28-22(16)17)24-29(26,27)20-10-3-6-13-5-1-2-7-15(13)20/h1-3,5-7,10-12,24H,4,8-9H2

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.86
XLogP:	4.60

5.83

5.04

InChI=1/C22H16BrNO4S/c23-16-5-9-18(10-6-16)27-12-11-26-17-7-3-15(4-8-17)14-19-22(25)28-21(24-19)20-2-1-13-29-20/h1-10,13-14H,11-12H2/b19-14+

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	6.21
XLogP:	5.20

6.21

6.21

InChI=1/C22H16BrNO4S/c23-15-6-5-7-16(12-15)27-14-22(26)28-13-21(25)24-17-8-1-3-10-19(17)29-20-11-4-2-9-18(20)24/h1-12H,13-14H2

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	4.90
XLogP:	5.10

InChI=1/C22H16BrNO4S/c1-27-22(26)28-21-19(16-6-8-17(23)9-7-16)10-18(25)11-20(21)29-13-15-4-2-14(12-24)3-5-15/h2-11,25H,13H2,1H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	4.06
XLogP:	6.20

InChI=1/C22H16BrNO4S/c1-24-19-10-6-5-9-18(19)21(20(22(24)25)15-7-3-2-4-8-15)28-29(26,27)17-13-11-16(23)12-14-17/h2-14H,1H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.56
XLogP:	5.30

5.56

5.56

InChI=1/C22H16BrNO4S/c1-26-18-9-8-14(12-19(18)27-13-15-5-2-3-6-16(15)23)11-17-22(25)28-21(24-17)20-7-4-10-29-20/h2-12H,13H2,1H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.81
XLogP:	4.90

InChI=1/C22H16BrNO4S/c1-26-18-12-15(10-16(23)20(18)27-13-14-6-3-2-4-7-14)11-17-22(25)28-21(24-17)19-8-5-9-29-19/h2-12H,13H2,1H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.80
XLogP:	4.90

InChI=1/C22H16BrNO4S/c23-16-5-9-18(10-6-16)27-12-11-26-17-7-3-15(4-8-17)14-19-22(25)28-21(24-19)20-2-1-13-29-20/h1-10,13-14H,11-12H2

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	6.21
XLogP:	5.20

InChI=1/C22H16BrNO4S/c1-3-19-20(13-4-7-15(23)8-5-13)24-21(29-19)17-10-14-6-9-16(27-12(2)25)11-18(14)28-22(17)26/h4-11H,3H2,1-2H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.39
XLogP:	4.80

5.39

5.39

InChI=1/C22H16BrNO4S/c23-15-9-11-16(12-10-15)27-14-22(26)28-13-21(25)24-17-5-1-3-7-19(17)29-20-8-4-2-6-18(20)24/h1-12H,13-14H2

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.04
XLogP:	5.10

InChI=1/C22H16BrNO4S/c23-16-11-13-18(14-12-16)29(27,28)21-19(15-7-3-1-4-8-15)24(22(26)20(21)25)17-9-5-2-6-10-17/h1-14,19,25H

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	4.67
XLogP:	5.20

InChI=1/C22H16BrNO4S/c1-27-18-10-13(11-19-21(25)24-22(26)29-19)9-17(23)20(18)28-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,24,25,26)

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	4.90
XLogP:	4.80

InChI=1/C22H16BrNO4S/c1-13(14-9-11-15(23)12-10-14)24-29(27,28)19-8-4-7-18-20(19)22(26)17-6-3-2-5-16(17)21(18)25/h2-13,24H,1H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.03
XLogP:	5.00

InChI=1/C22H16BrNO4S/c1-27-14-10-11-16(23)15(12-14)22(26)28-13-21(25)24-17-6-2-4-8-19(17)29-20-9-5-3-7-18(20)24/h2-12H,13H2,1H3

C₂₂H₁₆BrNO₄S

470.3357

468.998333

ACD/LogP:	5.10
XLogP:	5.30

1

Royal Society of Chemistry