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

4-(4-Ethylphenyl)-N-(2-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

  • Molecular FormulaC27H24FN3O
  • Average mass425.497 Da
  • Monoisotopic mass425.190338 Da
  • ChemSpider ID22988099

More details:

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

4-(4-Ethylphenyl)-N-(2-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide [ACD/IUPAC Name]
4-(4-Éthylphényl)-N-(2-fluorophényl)-4H-pyrrolo[1,2-a][1,4]benzodiazépine-5(6H)-carboxamide [French] [ACD/IUPAC Name]
4-(4-Ethylphenyl)-N-(2-fluorphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-carboxamid [German] [ACD/IUPAC Name]
4H-Pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide, 4-(4-ethylphenyl)-N-(2-fluorophenyl)- [ACD/Index 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: 643.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.2±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7302.15
ACD/KOC (pH 5.5): 20279.08
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7301.44
ACD/KOC (pH 7.4): 20277.13
Polar Surface Area: 37 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 349.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement