ChemSpider 2D Image | 3-{3-[4-(3,4-Dichlorophenyl)-1-piperazinyl]-3-oxopropyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione | C22H22Cl2N4O3

3-{3-[4-(3,4-Dichlorophenyl)-1-piperazinyl]-3-oxopropyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

  • Molecular FormulaC22H22Cl2N4O3
  • Average mass461.341 Da
  • Monoisotopic mass460.106903 Da
  • ChemSpider ID23495571

More details:

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

1H-1,4-Benzodiazepine-2,5-dione, 3-[3-[4-(3,4-dichlorophenyl)-1-piperazinyl]-3-oxopropyl]-3,4-dihydro- [ACD/Index Name]
3-{3-[4-(3,4-Dichlorophenyl)-1-piperazinyl]-3-oxopropyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione [ACD/IUPAC Name]
3-{3-[4-(3,4-Dichlorophényl)-1-pipérazinyl]-3-oxopropyl}-3,4-dihydro-1H-1,4-benzodiazépine-2,5-dione [French] [ACD/IUPAC Name]
3-{3-[4-(3,4-Dichlorphenyl)-1-piperazinyl]-3-oxopropyl}-3,4-dihydro-1H-1,4-benzodiazepin-2,5-dion [German] [ACD/IUPAC Name]
5H-1,4-benzodiazepin-5-one, 3-[3-[4-(3,4-dichlorophenyl)-1-piperazinyl]-3-oxopropyl]-3,4-dihydro-2-hydroxy-
1214645-49-4 [RN]
3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
3-{3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one
3-{3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropyl}-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.687
    Molar Refractivity: 119.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 26.76
    ACD/KOC (pH 5.5): 357.05
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 19.72
    ACD/KOC (pH 7.4): 263.11
    Polar Surface Area: 85 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 58.2±7.0 dyne/cm
    Molar Volume: 313.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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