ChemSpider 2D Image | ELUBIOL | C27H30Cl2N4O5

ELUBIOL

  • Molecular FormulaC27H30Cl2N4O5
  • Average mass561.457 Da
  • Monoisotopic mass560.159302 Da
  • ChemSpider ID139431

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, ethyl ester, rel-
1-Piperazinecarboxylic acid, 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, ethyl ester [ACD/Index Name]
4-(4-{[(2R,4S)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
67914-69-6 [RN]
Dichlorophenyl imidazoldioxolan
ELUBIOL
Ethyl 4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl 4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine-1-carboxylate
Ethyl-4-(4-{[(2R,4S)-2-(2,4-dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, ethyl ester, rel-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CWH03ZH51E [DBID]
UNII:CWH03ZH51E [DBID]
UNII-CWH03ZH51E [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 734.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.2±3.0 kJ/mol
    Flash Point: 398.2±32.9 °C
    Index of Refraction: 1.631
    Molar Refractivity: 145.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.18
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 67.46
    ACD/KOC (pH 5.5): 288.20
    ACD/LogD (pH 7.4): 4.41
    ACD/BCF (pH 7.4): 1230.81
    ACD/KOC (pH 7.4): 5257.94
    Polar Surface Area: 78 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 407.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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