ChemSpider 2D Image | 2-[[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]acetamide | C26H24N6O2S2

2-[[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]acetamide

  • Molecular FormulaC26H24N6O2S2
  • Average mass516.638 Da
  • Monoisotopic mass516.140198 Da
  • ChemSpider ID1444824

More details:

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

2-[[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]acetamide
2-{[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(3-éthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]acétamide [French] [ACD/IUPAC Name]
843619-45-4 [RN]
Acetamide, 2-[[4-amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]- [ACD/Index Name]
2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
2-[4-amino-5-(3-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(6-methylbenzothiazol-2-yl)phenyl]acetamide
AC1LY4AJ
AGN-PC-0K9T98
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    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: 1.726
    Molar Refractivity: 145.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.99
    ACD/LogD (pH 5.5): 4.98
    ACD/BCF (pH 5.5): 3570.16
    ACD/KOC (pH 5.5): 12150.44
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 3570.57
    ACD/KOC (pH 7.4): 12151.82
    Polar Surface Area: 161 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 59.1±7.0 dyne/cm
    Molar Volume: 365.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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