ChemSpider 2D Image | 9-Chloro-7-(3-ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole | C20H23ClN2O

9-Chloro-7-(3-ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole

  • Molecular FormulaC20H23ClN2O
  • Average mass342.862 Da
  • Monoisotopic mass342.149902 Da
  • ChemSpider ID23167809

More details:

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

1H-[1,4]Diazepino[1,7-a]indole, 9-chloro-7-(3-ethoxyphenyl)-2,3,4,5,11,11a-hexahydro- [ACD/Index Name]
9-Chlor-7-(3-ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol [German] [ACD/IUPAC Name]
9-Chloro-7-(3-ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole [ACD/IUPAC Name]
9-Chloro-7-(3-éthoxyphényl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazépino[1,7-a]indole [French] [ACD/IUPAC Name]
9-Chloro-7-(3-ethoxy-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CHEMBL75738

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.3±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 6.04
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 13.72
ACD/KOC (pH 7.4): 58.26
Polar Surface Area: 25 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 273.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement