ChemSpider 2D Image | MFCD03474090 | C27H25Cl2N3O2S

MFCD03474090

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID1507237

More details:

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

1-(3,4-Dichlorophenyl)-2-({4-(4-methoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone [ACD/IUPAC Name]
1-(3,4-Dichlorophényl)-2-({4-(4-méthoxyphényl)-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)éthanone [French] [ACD/IUPAC Name]
1-(3,4-Dichlorphenyl)-2-({4-(4-methoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanon [German] [ACD/IUPAC Name]
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
578752-11-1 [RN]
Ethanone, 1-(3,4-dichlorophenyl)-2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
MFCD03474090
1-(3,4-dichlorophenyl)-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}ethan-1-one
2-((5-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dichlorophenyl)ethanone
2-([5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(3,4-DICHLOROPHENYL)ETHANONE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 694.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.8±3.0 kJ/mol
    Flash Point: 374.1±34.3 °C
    Index of Refraction: 1.627
    Molar Refractivity: 145.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 9.54
    ACD/LogD (pH 5.5): 7.06
    ACD/BCF (pH 5.5): 135992.63
    ACD/KOC (pH 5.5): 164492.28
    ACD/LogD (pH 7.4): 7.06
    ACD/BCF (pH 7.4): 135995.31
    ACD/KOC (pH 7.4): 164495.53
    Polar Surface Area: 82 Å2
    Polarizability: 57.8±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 411.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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