ChemSpider 2D Image | 4-Chloro-N-{[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide | C26H24ClN5O2S

4-Chloro-N-{[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

  • Molecular FormulaC26H24ClN5O2S
  • Average mass506.019 Da
  • Monoisotopic mass505.133911 Da
  • ChemSpider ID12940052

More details:

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

4-Chlor-N-{[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-{[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide [ACD/IUPAC Name]
4-Chloro-N-{[5-({2-[(2,6-diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-phényl-4H-1,2,4-triazol-3-yl]méthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-[[5-[[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]
4-chloro-N-[(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
4-chloro-N-[[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
4-Chloro-N-{5-[(2,6-dimethyl-phenylcarbamoyl)-methylsulfanyl]-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl}-benzamide
767323-89-7 [RN]

    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: 1.664
    Molar Refractivity: 142.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.34
    ACD/LogD (pH 5.5): 5.13
    ACD/BCF (pH 5.5): 4629.32
    ACD/KOC (pH 5.5): 14633.37
    ACD/LogD (pH 7.4): 5.13
    ACD/BCF (pH 7.4): 4630.23
    ACD/KOC (pH 7.4): 14636.24
    Polar Surface Area: 114 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 382.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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