ChemSpider 2D Image | Methyl 1-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate | C13H15N5O5S

Methyl 1-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC13H15N5O5S
  • Average mass353.354 Da
  • Monoisotopic mass353.079376 Da
  • ChemSpider ID58226834

More details:

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

1-(2-{[4-(2-Éthoxy-2-oxoéthyl)-1,3-thiazol-2-yl]amino}-2-oxoéthyl)-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Thiazoleacetic acid, 2-[[2-[4-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Methyl 1-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
2097982-64-2 [RN]
methyl 1-({[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}methyl)-1H-1,2,3-triazole-4-carboxylate
methyl 1-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]triazole-4-carboxylate
MFCD30484357

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.666
    Molar Refractivity: 86.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 0.55
    ACD/LogD (pH 5.5): 0.71
    ACD/BCF (pH 5.5): 2.02
    ACD/KOC (pH 5.5): 57.43
    ACD/LogD (pH 7.4): 0.41
    ACD/BCF (pH 7.4): 1.02
    ACD/KOC (pH 7.4): 28.91
    Polar Surface Area: 154 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 61.4±7.0 dyne/cm
    Molar Volume: 232.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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