ChemSpider 2D Image | (7R)-N-(2,2-Difluoroethyl)-7-methyl-1,2,3,4,6,7-hexahydro[1,4]diazepino[6,7,1-hi]indole-8-carboxamide | C15H19F2N3O

(7R)-N-(2,2-Difluoroethyl)-7-methyl-1,2,3,4,6,7-hexahydro[1,4]diazepino[6,7,1-hi]indole-8-carboxamide

  • Molecular FormulaC15H19F2N3O
  • Average mass295.328 Da
  • Monoisotopic mass295.149628 Da
  • ChemSpider ID129309383

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-N-(2,2-Difluorethyl)-7-methyl-1,2,3,4,6,7-hexahydro[1,4]diazepino[6,7,1-hi]indol-8-carboxamid [German] [ACD/IUPAC Name]
(7R)-N-(2,2-Difluoroethyl)-7-methyl-1,2,3,4,6,7-hexahydro[1,4]diazepino[6,7,1-hi]indole-8-carboxamide [ACD/IUPAC Name]
(7R)-N-(2,2-Difluoroéthyl)-7-méthyl-1,2,3,4,6,7-hexahydro[1,4]diazépino[6,7,1-hi]indole-8-carboxamide [French] [ACD/IUPAC Name]
[1,4]Diazepino[6,7,1-hi]indole-8-carboxamide, N-(2,2-difluoroethyl)-1,2,3,4,6,7-hexahydro-7-methyl-, (7R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.576
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.73
Polar Surface Area: 44 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 229.1±5.0 cm3

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