ChemSpider 2D Image | Ketocanazole | C26H28Cl2N4O4

Ketocanazole

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID4642458

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[4-(4-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[4-(4-{[(2R)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
1-[4-(4-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethanone
1-[4-(4-{[(2R)-2-(2,4-Dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone
Ethanone, 1-[4-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]- [ACD/Index Name]
Ketocanazole
[65277-42-1] [RN]
1-(4-{4-[2-(2,4-Dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-ethanone(ketoconazole)
1-[4-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DivK1c_000541 [DBID]
KBio1_000541 [DBID]
KBio2_001335 [DBID]
KBio2_003903 [DBID]
KBio2_006471 [DBID]
KBio3_001434 [DBID]
KBioGR_000437 [DBID]
KBioSS_001335 [DBID]
NINDS_000541 [DBID]
SPBio_000180 [DBID]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 753.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±3.0 kJ/mol
    Flash Point: 409.4±32.9 °C
    Index of Refraction: 1.642
    Molar Refractivity: 139.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 13.55
    ACD/KOC (pH 5.5): 91.12
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 249.50
    ACD/KOC (pH 7.4): 1677.54
    Polar Surface Area: 69 Å2
    Polarizability: 55.2±0.5 10-24cm3
    Surface Tension: 52.2±7.0 dyne/cm
    Molar Volume: 385.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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