ChemSpider 2D Image | N-[4-(5-{[2-(2-Allylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-(2-methyl-2-propanyl)benzamide | C31H34N4O2S

N-[4-(5-{[2-(2-Allylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID1420974

More details:

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

Benzamide, 4-(1,1-dimethylethyl)-N-[4-[4-methyl-5-[[2-[2-(2-propen-1-yl)phenoxy]ethyl]thio]-4H-1,2,4-triazol-3-yl]phenyl]- [ACD/Index Name]
N-[4-(5-{[2-(2-Allylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-[4-(5-{[2-(2-Allylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-[4-(5-{[2-(2-Allylphénoxy)éthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)phényl]-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
445421-42-1 [RN]
4-tert-butyl-N-[4-[4-methyl-5-[2-(2-prop-2-enylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]phenyl]benzamide
N-[4-(5-{[2-(2-allylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-tert-butylbenzamide
ZJTPYNZGLQBPHN-UHFFFAOYSA-N

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

AN-648/14913036 [DBID]
ZINC02185509 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.601
    Molar Refractivity: 158.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 8.32
    ACD/LogD (pH 5.5): 6.91
    ACD/BCF (pH 5.5): 104198.36
    ACD/KOC (pH 5.5): 135941.13
    ACD/LogD (pH 7.4): 6.91
    ACD/BCF (pH 7.4): 104209.00
    ACD/KOC (pH 7.4): 135955.00
    Polar Surface Area: 94 Å2
    Polarizability: 62.6±0.5 10-24cm3
    Surface Tension: 42.5±7.0 dyne/cm
    Molar Volume: 461.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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