ChemSpider 2D Image | Ethyl (3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate | C18H14ClFN2O3

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

  • Molecular FormulaC18H14ClFN2O3
  • Average mass360.767 Da
  • Monoisotopic mass360.067688 Da
  • ChemSpider ID34994803
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-7-Chloro-5-(2-fluorophényl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
158251-55-9 [RN]
1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(3S)-7-chlor-5-(2-fluorphenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]
249-489-4 [EINECS]
29177-84-2 [RN]
Ethyl loflazepate [INN] [JAN] [Wiki]
UNII-VJB5FW9W9J

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

U60LDZ69BN [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.69
ACD/KOC (pH 5.5): 1314.33
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.67
ACD/KOC (pH 7.4): 1314.21
Polar Surface Area: 68 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 258.6±7.0 cm3

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