ChemSpider 2D Image | 1-(2-{Bis[(~2~H_5_)ethyl]amino}ethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C21H13D10ClFN3O

1-(2-{Bis[(2H5)ethyl]amino}ethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC21H13D10ClFN3O
  • Average mass397.940 Da
  • Monoisotopic mass397.214142 Da
  • ChemSpider ID48061007

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2-{Bis[(2H5)ethyl]amino}ethyl)-7-chlor-5-(2-fluorphenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
1-(2-{Bis[(2H5)ethyl]amino}ethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
1-(2-{Bis[(2H5)éthyl]amino}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, 7-chloro-1-[2-(diethyl-d5-amino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro- [ACD/Index Name]
1-[2-[bis(1,1,2,2,2-pentadeuterioethyl)amino]ethyl]-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
1795033-32-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 551.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 287.2±30.1 °C
    Index of Refraction: 1.590
    Molar Refractivity: 107.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.99
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.71
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 1.31
    ACD/KOC (pH 7.4): 9.05
    Polar Surface Area: 36 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 41.2±7.0 dyne/cm
    Molar Volume: 319.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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