ChemSpider 2D Image | 1-(4-Biphenylyl)-2-({5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone | C32H29N3OS

1-(4-Biphenylyl)-2-({5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

  • Molecular FormulaC32H29N3OS
  • Average mass503.657 Da
  • Monoisotopic mass503.203125 Da
  • ChemSpider ID2663413

More details:

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

1-(4-Biphenylyl)-2-({5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanon [German] [ACD/IUPAC Name]
1-(4-Biphenylyl)-2-({5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone [ACD/IUPAC Name]
1-(4-Biphénylyl)-2-({5-[4-(2-méthyl-2-propanyl)phényl]-4-phényl-4H-1,2,4-triazol-3-yl}sulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1,1'-biphenyl]-4-yl-2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
1-(biphenyl-4-yl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylphenyl)ethan-1-one
2-{5-[4-(tert-butyl)phenyl]-4-phenyl(1,2,4-triazol-3-ylthio)}-1-(4-phenylphenyl)ethan-1-one
861649-43-6 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 691.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.3±3.0 kJ/mol
    Flash Point: 371.9±34.3 °C
    Index of Refraction: 1.629
    Molar Refractivity: 156.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 10.07
    ACD/LogD (pH 5.5): 8.27
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 750114.06
    ACD/LogD (pH 7.4): 8.27
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 750127.25
    Polar Surface Area: 73 Å2
    Polarizability: 61.8±0.5 10-24cm3
    Surface Tension: 44.9±7.0 dyne/cm
    Molar Volume: 439.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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