ChemSpider 2D Image | 7-Chloro-5-(~2~H_5_)phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C17H7D5ClF3N2O

7-Chloro-5-(2H5)phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H7D5ClF3N2O
  • Average mass357.769 Da
  • Monoisotopic mass357.090424 Da
  • ChemSpider ID48062638
  • Non-standard isotope - Non-standard isotope


More details:






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

2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(phenyl-d5)-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
7-Chlor-5-(2H5)phenyl-1-(2,2,2-trifluorethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Chloro-5-(2H5)phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Chloro-5-(2H5)phényl-1-(2,2,2-trifluoroéthyl)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
1346599-51-6 [RN]
7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.15
ACD/KOC (pH 5.5): 2238.42
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.58
ACD/KOC (pH 7.4): 2241.27
Polar Surface Area: 33 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 256.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement