ChemSpider 2D Image | 8-Ethynyl-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide | C21H15FN4O

8-Ethynyl-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

  • Molecular FormulaC21H15FN4O
  • Average mass358.368 Da
  • Monoisotopic mass358.122986 Da
  • ChemSpider ID29415294

More details:

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

4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide, 8-ethynyl-6-(2-fluorophenyl)-N-methyl- [ACD/Index Name]
8-Ethinyl-6-(2-fluorphenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxamid [German] [ACD/IUPAC Name]
8-Ethynyl-6-(2-fluorophenyl)-N-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide [ACD/IUPAC Name]
8-Éthynyl-6-(2-fluorophényl)-N-méthyl-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxamide [French] [ACD/IUPAC 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: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.86
ACD/KOC (pH 5.5): 228.51
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.88
ACD/KOC (pH 7.4): 228.70
Polar Surface Area: 59 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 279.8±7.0 cm3

Click to predict properties on the Chemicalize site


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