ChemSpider 2D Image | (2Z)-6-(2-Chlorophenyl)-2-{[4-methyl(~2~H_8_)-1-piperazinyl]methylene}-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one | C23H13D8ClN6O3

(2Z)-6-(2-Chlorophenyl)-2-{[4-methyl(2H8)-1-piperazinyl]methylene}-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one

  • Molecular FormulaC23H13D8ClN6O3
  • Average mass472.953 Da
  • Monoisotopic mass472.186584 Da
  • ChemSpider ID48060321

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2Z)-6-(2-Chlorophenyl)-2-{[4-methyl(2H8)-1-piperazinyl]methylene}-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-one [ACD/IUPAC Name]
(2Z)-6-(2-Chlorophényl)-2-{[4-méthyl(2H8)-1-pipérazinyl]méthylène}-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazépin-1-one [French] [ACD/IUPAC Name]
(2Z)-6-(2-Chlorphenyl)-2-{[4-methyl(2H8)-1-piperazinyl]methylen}-8-nitro-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepin-1-on [German] [ACD/IUPAC Name]
1H-Imidazo[1,2-a][1,4]benzodiazepin-1-one, 6-(2-chlorophenyl)-2,4-dihydro-2-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methylene]-8-nitro-, (2Z)- [ACD/Index Name]
(2Z)-6-(2-chlorophenyl)-8-nitro-2-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methylidene]-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
1346606-41-4 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 597.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.0±3.0 kJ/mol
    Flash Point: 315.1±32.9 °C
    Index of Refraction: 1.729
    Molar Refractivity: 124.7±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 0.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.14
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 14.23
    ACD/KOC (pH 7.4): 219.53
    Polar Surface Area: 97 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 63.4±7.0 dyne/cm
    Molar Volume: 312.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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