ChemSpider 2D Image | 5-Isopropyl-1-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide | C18H20N6O3S

5-Isopropyl-1-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC18H20N6O3S
  • Average mass400.455 Da
  • Monoisotopic mass400.131744 Da
  • ChemSpider ID21682376

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 1-(4-methoxyphenyl)-5-(1-methylethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]- [ACD/Index Name]
5-Isopropyl-1-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Isopropyl-1-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-Isopropyl-1-(4-méthoxyphényl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-propan-2-yltriazole-4-carboxamide
5-Isopropyl-1-(4-methoxy-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid [3-(2-oxo-propyl)-[1,2,4]thiadiazol-5-yl]-amide
954766-32-6 [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: 1.682
    Molar Refractivity: 107.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.79
    ACD/KOC (pH 5.5): 214.70
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 5.55
    ACD/KOC (pH 7.4): 93.19
    Polar Surface Area: 140 Å2
    Polarizability: 42.5±0.5 10-24cm3
    Surface Tension: 54.1±7.0 dyne/cm
    Molar Volume: 283.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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