ChemSpider 2D Image | 4-Benzyl-N-{5-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide | C25H18ClF3N4O2S2

4-Benzyl-N-{5-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

  • Molecular FormulaC25H18ClF3N4O2S2
  • Average mass563.014 Da
  • Monoisotopic mass562.051208 Da
  • ChemSpider ID3784608

More details:

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

4-Benzyl-N-{5-[(2-{[2-chlor-5-(trifluormethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamid [German] [ACD/IUPAC Name]
4-Benzyl-N-{5-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide [ACD/IUPAC Name]
4-Benzyl-N-{5-[(2-{[2-chloro-5-(trifluorométhyl)phényl]amino}-2-oxoéthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[5-[[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(phenylmethyl)- [ACD/Index Name]
392299-16-0 [RN]
4-benzyl-N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
4-benzyl-N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
4-benzyl-N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

    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: 1.664
    Molar Refractivity: 138.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.96
    ACD/LogD (pH 5.5): 6.37
    ACD/BCF (pH 5.5): 40908.54
    ACD/KOC (pH 5.5): 69609.50
    ACD/LogD (pH 7.4): 6.36
    ACD/BCF (pH 7.4): 39626.33
    ACD/KOC (pH 7.4): 67427.70
    Polar Surface Area: 138 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 69.0±5.0 dyne/cm
    Molar Volume: 373.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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