ChemSpider 2D Image | 18-(Cyclopropylamino)-2,8,16,17,19,20-hexaazatetracyclo[12.5.2.1~3,7~.0~17,21~]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one | C19H21N7O

18-(Cyclopropylamino)-2,8,16,17,19,20-hexaazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one

  • Molecular FormulaC19H21N7O
  • Average mass363.416 Da
  • Monoisotopic mass363.180756 Da
  • ChemSpider ID23323125

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

14,10-Metheno-16,1-(nitrilometheno)-5H-pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, 19-(cyclopropylamino)-4,6,7,15-tetrahydro- [ACD/Index Name]
18-(Cyclopropylamino)-2,8,16,17,19,20-hexaazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-on [German] [ACD/IUPAC Name]
18-(Cyclopropylamino)-2,8,16,17,19,20-hexaazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one [ACD/IUPAC Name]
18-(Cyclopropylamino)-2,8,16,17,19,20-hexaazatétracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaén-9-one [French] [ACD/IUPAC Name]
19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-14,10-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
18-(cyclopropylamino)-2,8,16,17,19,20-hexaazatetracyclo[12.5.2.1³,⁷.0¹⁷,²¹]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one
18-(cyclopropylamino)-2,8,16,17,19,20-hexaazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-9-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404508/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.814
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.76
ACD/KOC (pH 5.5): 272.55
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 273.80
Polar Surface Area: 96 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 232.1±7.0 cm3

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