ChemSpider 2D Image | Ethyl 6-(4-methylphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | C21H19N3O2

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

  • Molecular FormulaC21H19N3O2
  • Average mass345.395 Da
  • Monoisotopic mass345.147736 Da
  • ChemSpider ID28642765

More details:

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

4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 6-(4-methylphenyl)-, ethyl ester [ACD/Index Name]
6-(4-Méthylphényl)-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(4-methylphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-(4-methylphenyl)-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: 1.2±0.1 g/cm3
Boiling Point: 534.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 187.21
ACD/KOC (pH 5.5): 1464.83
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.77
ACD/KOC (pH 7.4): 1492.68
Polar Surface Area: 56 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


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