ChemSpider 2D Image | 7-Chloro-5-[2-fluoro(~2~H_4_)phenyl]-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione | C17H7D4ClF4N2S

7-Chloro-5-[2-fluoro(2H4)phenyl]-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione

  • Molecular FormulaC17H7D4ClF4N2S
  • Average mass390.819 Da
  • Monoisotopic mass390.051880 Da
  • ChemSpider ID58794620

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1,4-Benzodiazepine-2-thione, 7-chloro-5-(6-fluorophenyl-2,3,4,5-d4)-1,3-dihydro-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
7-Chlor-5-[2-fluor(2H4)phenyl]-1-(2,2,2-trifluorethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-thion [German] [ACD/IUPAC Name]
7-Chloro-5-[2-fluoro(2H4)phenyl]-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione [ACD/IUPAC Name]
7-Chloro-5-[2-fluoro(2H4)phényl]-1-(2,2,2-trifluoroéthyl)-1,3-dihydro-2H-1,4-benzodiazépine-2-thione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 429.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1184.61
ACD/KOC (pH 5.5): 5516.50
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1184.62
ACD/KOC (pH 7.4): 5516.56
Polar Surface Area: 48 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 271.2±7.0 cm3

Click to predict properties on the Chemicalize site


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