ChemSpider 2D Image | 8-Ethynyl-N-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide | C21H16N4O

8-Ethynyl-N-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

  • Molecular FormulaC21H16N4O
  • Average mass340.378 Da
  • Monoisotopic mass340.132416 Da
  • ChemSpider ID29417415

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-N-methyl-6-phenyl- [ACD/Index Name]
8-Ethinyl-N-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxamid [German] [ACD/IUPAC Name]
8-Ethynyl-N-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide [ACD/IUPAC Name]
8-Éthynyl-N-méthyl-6-phényl-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: 1.2±0.1 g/cm3
Boiling Point: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.76
ACD/KOC (pH 5.5): 283.70
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.79
ACD/KOC (pH 7.4): 284.13
Polar Surface Area: 59 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 277.0±7.0 cm3

Click to predict properties on the Chemicalize site


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