ChemSpider 2D Image | 3-[(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]propanenitrile | C18H13ClFN3O2

3-[(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]propanenitrile

  • Molecular FormulaC18H13ClFN3O2
  • Average mass357.766 Da
  • Monoisotopic mass357.068024 Da
  • ChemSpider ID34986068

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,4-Benzodiazepine-1-propanenitrile, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-3-hydroxy-2-oxo-, (3S)- [ACD/Index Name]
3-[(3S)-7-Chlor-5-(2-fluorphenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]propannitril [German] [ACD/IUPAC Name]
3-[(3S)-7-Chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]propanenitrile [ACD/IUPAC Name]
3-[(3S)-7-Chloro-5-(2-fluorophényl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-1-yl]propanenitrile [French] [ACD/IUPAC Name]
75696-02-5 [RN]
Cinolazepam [INN] [Wiki]
UNII-68P0556B0U

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.76
ACD/KOC (pH 5.5): 261.85
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.76
ACD/KOC (pH 7.4): 261.84
Polar Surface Area: 77 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 255.8±7.0 cm3

Click to predict properties on the Chemicalize site


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