ChemSpider 2D Image | N-[3-Chloro-2-(4-isobutyryl-1-piperazinyl)phenyl]-1,3-benzodioxole-5-carboxamide | C22H24ClN3O4

N-[3-Chloro-2-(4-isobutyryl-1-piperazinyl)phenyl]-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC22H24ClN3O4
  • Average mass429.897 Da
  • Monoisotopic mass429.145538 Da
  • ChemSpider ID17920402

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]- [ACD/Index Name]
N-[3-Chlor-2-(4-isobutyryl-1-piperazinyl)phenyl]-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-[3-Chloro-2-(4-isobutyryl-1-piperazinyl)phenyl]-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-[3-Chloro-2-(4-isobutyryl-1-pipérazinyl)phényl]-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
N-[3-Chloro-2-(4-isobutyrylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
N-{3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-1,3-benzodioxole-5-carboxamide
916036-39-0 [RN]
AGN-PC-01BU67
AKOS000455571
AP-970/43482552
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 554.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.5±3.0 kJ/mol
    Flash Point: 289.1±30.1 °C
    Index of Refraction: 1.633
    Molar Refractivity: 114.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 137.75
    ACD/KOC (pH 5.5): 1182.39
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 137.76
    ACD/KOC (pH 7.4): 1182.48
    Polar Surface Area: 71 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 319.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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