ChemSpider 2D Image | 5-Phenyl-7-vinyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C17H14N2O

5-Phenyl-7-vinyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H14N2O
  • Average mass262.306 Da
  • Monoisotopic mass262.110626 Da
  • ChemSpider ID23222005

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-ethenyl-1,3-dihydro-5-phenyl- [ACD/Index Name]
5-Phenyl-7-vinyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
5-Phenyl-7-vinyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
5-Phényl-7-vinyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7-ethenyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
2H-1,4-BENZODIAZEPIN-2-ONE,7-ETHENYL-1,3-DIHYDRO-5-PHENYL-
5-Phenyl-7-vinyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL346836/
Ro-20-5747

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 465.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 80.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.65
ACD/KOC (pH 5.5): 1652.09
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.29
ACD/KOC (pH 7.4): 1686.73
Polar Surface Area: 41 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 226.6±7.0 cm3

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