ChemSpider 2D Image | 7-Chloro-1-[(2R)-2,3-dihydroxypropyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C18H16ClFN2O3

7-Chloro-1-[(2R)-2,3-dihydroxypropyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC18H16ClFN2O3
  • Average mass362.783 Da
  • Monoisotopic mass362.083344 Da
  • ChemSpider ID34985095

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-1-[(2R)-2,3-dihydroxypropyl]-5-(2-fluorophenyl)-1,3-dihydro- [ACD/Index Name]
7-Chlor-1-[(2R)-2,3-dihydroxypropyl]-5-(2-fluorphenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Chloro-1-[(2R)-2,3-dihydroxypropyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Chloro-1-[(2R)-2,3-dihydroxypropyl]-5-(2-fluorophényl)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
52829-30-8 [RN]
Proflazepam [INN] [Wiki]
UNII-545MN0F125

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.18
ACD/KOC (pH 5.5): 183.19
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.18
ACD/KOC (pH 7.4): 183.22
Polar Surface Area: 73 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

Click to predict properties on the Chemicalize site


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