ChemSpider 2D Image | N-(3-Fluoro-4-methylphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide | C27H24FN3O

N-(3-Fluoro-4-methylphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

  • Molecular FormulaC27H24FN3O
  • Average mass425.497 Da
  • Monoisotopic mass425.190338 Da
  • ChemSpider ID21907504

More details:

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

4H-Pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide, N-(3-fluoro-4-methylphenyl)-4-(3-methylphenyl)- [ACD/Index Name]
N-(3-Fluor-4-methylphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-carboxamid [German] [ACD/IUPAC Name]
N-(3-Fluoro-4-methylphenyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide [ACD/IUPAC Name]
N-(3-Fluoro-4-méthylphényl)-4-(3-méthylphényl)-4H-pyrrolo[1,2-a][1,4]benzodiazépine-5(6H)-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: 641.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.9±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10382.05
ACD/KOC (pH 5.5): 26088.15
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10378.18
ACD/KOC (pH 7.4): 26078.45
Polar Surface Area: 37 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 349.0±7.0 cm3

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