ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-ethoxy-3-methoxyphenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide | C23H24N8O4S

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-ethoxy-3-methoxyphenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC23H24N8O4S
  • Average mass508.553 Da
  • Monoisotopic mass508.164124 Da
  • ChemSpider ID7940037

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-ethoxy-3-methoxyphenyl)ethyliden]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-ethoxy-3-methoxyphenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-éthoxy-3-méthoxyphényl)éthylidène]-5-[(phénylsulfanyl)méthyl]-1H-1,2,3-triazole-4-carbohydrazide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-, 2-[(1E)-1-(4-ethoxy-3-methoxyphenyl)ethylidene]hydrazide [ACD/Index Name]
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-ethoxy-3-methoxyphenyl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
840499-59-4 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.690
    Molar Refractivity: 134.8±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.34
    ACD/KOC (pH 5.5): 464.52
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.30
    ACD/KOC (pH 7.4): 463.95
    Polar Surface Area: 181 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 57.9±7.0 dyne/cm
    Molar Volume: 352.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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