ChemSpider 2D Image | (3S)-7-Chloro-3-methyl-5-(~2~H_5_)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H8D5ClN2O

(3S)-7-Chloro-3-methyl-5-(2H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H8D5ClN2O
  • Average mass289.771 Da
  • Monoisotopic mass289.103027 Da
  • ChemSpider ID10588027

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-7-Chlor-3-methyl-5-(2H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
(3S)-7-Chloro-3-methyl-5-(2H5)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
(3S)-7-Chloro-3-méthyl-5-(2H5)phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-methyl-5-(phenyl-d5)-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 80.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.01
ACD/KOC (pH 5.5): 1248.50
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 149.96
ACD/KOC (pH 7.4): 1256.48
Polar Surface Area: 41 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 219.8±7.0 cm3

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