ChemSpider 2D Image | 1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)(2,2,3,3,5,5,6,6-~2~H_8_)piperazine | C24H18D8Cl2N4O3

1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)(2,2,3,3,5,5,6,6-2H8)piperazine

  • Molecular FormulaC24H18D8Cl2N4O3
  • Average mass497.444 Da
  • Monoisotopic mass496.188416 Da
  • ChemSpider ID48058208

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)(2,2,3,3,5,5,6,6-2H8)piperazine [ACD/IUPAC Name]
1-(4-{[(2R,4S)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)(2,2,3,3,5,5,6,6-2H8)pipérazine [French] [ACD/IUPAC Name]
1-(4-{[(2R,4S)-2-(2,4-Dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)(2,2,3,3,5,5,6,6-2H8)piperazin [German] [ACD/IUPAC Name]
Piperazine-2,2,3,3,5,5,6,6-d8, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- [ACD/Index Name]
1346602-18-3 [RN]
2,2,3,3,5,5,6,6-octadeuterio-1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
deacetyl ketoconazole-d8

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 699.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.4±3.0 kJ/mol
    Flash Point: 376.9±31.5 °C
    Index of Refraction: 1.653
    Molar Refractivity: 128.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): -0.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 15.64
    ACD/KOC (pH 7.4): 98.21
    Polar Surface Area: 61 Å2
    Polarizability: 50.9±0.5 10-24cm3
    Surface Tension: 52.8±7.0 dyne/cm
    Molar Volume: 350.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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