ChemSpider 2D Image | (3S)-7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl dimethylcarbamate | C19H18ClN3O3

(3S)-7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl dimethylcarbamate

  • Molecular FormulaC19H18ClN3O3
  • Average mass371.818 Da
  • Monoisotopic mass371.103668 Da
  • ChemSpider ID34991310
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-7-Chlor-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl-dimethylcarbamat [German] [ACD/IUPAC Name]
(3S)-7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl dimethylcarbamate [ACD/IUPAC Name]
102818-70-2 [RN]
Carbamic acid, N,N-dimethyl-, (3S)-7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl ester [ACD/Index Name]
Diméthylcarbamate de (3S)-7-chloro-1-méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yle [French] [ACD/IUPAC Name]
252-866-6 [EINECS]
36104-80-0 [RN]
UNII-HZ3XRH03C3

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

52O0W2O5SE [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 568.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.18
ACD/KOC (pH 5.5): 1116.59
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.24
ACD/KOC (pH 7.4): 1117.08
Polar Surface Area: 62 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 286.9±7.0 cm3

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