ChemSpider 2D Image | Ethyl methyl {1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}{[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyridinyl]methyl}malonate | C27H32N4O8S

Ethyl methyl {1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}{[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyridinyl]methyl}malonate

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID67864802

More details:

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

{1-[(4-Méthylphényl)sulfonyl]-1H-imidazol-4-yl}{[6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-pyridinyl]méthyl}malonate d'éthyle et de méthyle [French] [ACD/IUPAC Name]
Ethyl methyl {1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}{[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyridinyl]methyl}malonate [ACD/IUPAC Name]
Ethyl-methyl-{1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}{[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-pyridinyl]methyl}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[6-[[(1,1-dimethylethoxy)carbonyl]amino]-3-pyridinyl]methyl]-2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]-, ethyl methyl ester [ACD/Index Name]
1-ethyl 3-methyl 2-((6-((tert-butoxycarbonyl)amino)pyridin-3-yl)methyl)-2-(1-tosyl-1H-imidazol-4-yl)malonate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.587
    Molar Refractivity: 148.9±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 149.92
    ACD/KOC (pH 5.5): 1255.36
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 150.31
    ACD/KOC (pH 7.4): 1258.63
    Polar Surface Area: 164 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 443.0±7.0 cm3

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