ChemSpider 2D Image | Ethyl 4-({[(5-{[(2-methoxybenzoyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate | C28H27N5O5S

Ethyl 4-({[(5-{[(2-methoxybenzoyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC28H27N5O5S
  • Average mass545.609 Da
  • Monoisotopic mass545.173279 Da
  • ChemSpider ID4224669

More details:

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

4-({2-[(5-{[(2-Méthoxybenzoyl)amino]méthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[(5-{[(2-methoxybenzoyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[(5-{[(2-methoxybenzoyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
393840-70-5 [RN]
ethyl 4-(2-((5-((2-methoxybenzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
ethyl 4-[[2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
ethyl 4-{2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

    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: 1.643
    Molar Refractivity: 150.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 5.71
    ACD/LogD (pH 5.5): 4.33
    ACD/BCF (pH 5.5): 1151.16
    ACD/KOC (pH 5.5): 5404.54
    ACD/LogD (pH 7.4): 4.33
    ACD/BCF (pH 7.4): 1151.15
    ACD/KOC (pH 7.4): 5404.51
    Polar Surface Area: 150 Å2
    Polarizability: 59.6±0.5 10-24cm3
    Surface Tension: 52.5±7.0 dyne/cm
    Molar Volume: 415.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement