ChemSpider 2D Image | Ethyl (3R)-7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate | C18H14Cl2N2O3

Ethyl (3R)-7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate

  • Molecular FormulaC18H14Cl2N2O3
  • Average mass377.221 Da
  • Monoisotopic mass376.038147 Da
  • ChemSpider ID34986911

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-7-Chloro-5-(2-chlorophényl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-, ethyl ester, (3R)- [ACD/Index Name]
Ethyl (3R)-7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(3R)-7-chlor-5-(2-chlorphenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]
23980-14-5 [RN]
Ethyl dirazepate [INN] [Wiki]
UNII-74FAA305EW

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

TD92147O1I [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.9±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.12
ACD/KOC (pH 5.5): 2604.28
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.08
ACD/KOC (pH 7.4): 2604.05
Polar Surface Area: 68 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 265.0±7.0 cm3

Click to predict properties on the Chemicalize site


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