ChemSpider 2D Image | (3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C17H14ClFN2O3

(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H14ClFN2O3
  • Average mass348.756 Da
  • Monoisotopic mass348.067688 Da
  • ChemSpider ID34995557

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-7-Chlor-5-(2-fluorphenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
(3S)-7-Chloro-5-(2-fluorophényl)-3-hydroxy-1-(2-hydroxyéthyl)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-, (3S)- [ACD/Index Name]
40762-15-0 [RN]
doxefazepam [INN] [Wiki]
UNII-231RV72C8L

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

5EFS516HK3 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 618.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.8±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 87.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 159.56
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.39
ACD/KOC (pH 7.4): 159.55
Polar Surface Area: 73 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 240.3±7.0 cm3

Click to predict properties on the Chemicalize site


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