ChemSpider 2D Image | 1-[2-Amino(~2~H_4_)ethyl]-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C17H11D4ClFN3O

1-[2-Amino(2H4)ethyl]-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H11D4ClFN3O
  • Average mass335.797 Da
  • Monoisotopic mass335.113861 Da
  • ChemSpider ID48058157

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[2-Amino(2H4)ethyl]-7-chlor-5-(2-fluorphenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
1-[2-Amino(2H4)ethyl]-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
1-[2-Amino(2H4)éthyl]-7-chloro-5-(2-fluorophényl)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 1-(2-aminoethyl-1,1,2,2-d4)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro- [ACD/Index Name]
1-(2-amino-1,1,2,2-tetradeuterioethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
1329808-55-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.5±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 87.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.27
Polar Surface Area: 59 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

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