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

N-(4-Fluorobenzyl)-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 ID22988138

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-[(4-fluorophenyl)methyl]-4-(3-methylphenyl)- [ACD/Index Name]
N-(4-Fluorbenzyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-carboxamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-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: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±30.1 °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: 5.67
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5682.77
ACD/KOC (pH 5.5): 16947.55
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5682.68
ACD/KOC (pH 7.4): 16947.27
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


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