ChemSpider 2D Image | Ethyl 8-chloro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | C20H15ClN4O4

Ethyl 8-chloro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

  • Molecular FormulaC20H15ClN4O4
  • Average mass410.810 Da
  • Monoisotopic mass410.078186 Da
  • ChemSpider ID28640088

More details:

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

4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-chloro-6-(3-nitrophenyl)-, ethyl ester [ACD/Index Name]
8-Chloro-6-(3-nitrophényl)-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-chloro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-8-chlor-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.10
ACD/KOC (pH 5.5): 1190.67
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.13
ACD/KOC (pH 7.4): 1190.91
Polar Surface Area: 102 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 278.1±7.0 cm3

Click to predict properties on the Chemicalize site


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