ChemSpider 2D Image | 2-({5-[(3,4-Dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethanone | C31H34N4O2S

2-({5-[(3,4-Dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethanone

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID1415564

More details:

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

2-({5-[(3,4-Dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethanon [German] [ACD/IUPAC Name]
2-({5-[(3,4-Dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethanone [ACD/IUPAC Name]
2-({5-[(3,4-Diméthylphénoxy)méthyl]-4-phényl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)- [ACD/Index Name]
1H-carbazole, 9-[[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]-2,3,4,5,6,7,8,9-octahydro-
2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3,4,5,6,7,8,9-octahydro-1H-carbazol-9-yl)ethan-1-one
2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)ethanone
2-{5-[(3,4-dimethylphenoxy)methyl]-4-phenyl(1,2,4-triazol-3-ylthio)}-1-(1,2,3,4,5,6,7,8,9-nonahydro-4aH-carbazol-9-yl)ethan-1-one
667868-43-1 [RN]
9-[({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-2,3,4,5,6,7,8,9-octahydro-1H-carbazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AO-080/41820462 [DBID]
ZINC02170853 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 748.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.1±3.0 kJ/mol
    Flash Point: 406.4±35.7 °C
    Index of Refraction: 1.679
    Molar Refractivity: 153.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 9.93
    ACD/LogD (pH 5.5): 7.90
    ACD/BCF (pH 5.5): 595780.69
    ACD/KOC (pH 5.5): 473562.06
    ACD/LogD (pH 7.4): 7.90
    ACD/BCF (pH 7.4): 595784.56
    ACD/KOC (pH 7.4): 473565.16
    Polar Surface Area: 87 Å2
    Polarizability: 61.0±0.5 10-24cm3
    Surface Tension: 51.2±7.0 dyne/cm
    Molar Volume: 407.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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