ChemSpider 2D Image | N-(4-Acetylphenyl)-2-{[4-(4-chlorophenyl)-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C26H24ClN5O2S

N-(4-Acetylphenyl)-2-{[4-(4-chlorophenyl)-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC26H24ClN5O2S
  • Average mass506.019 Da
  • Monoisotopic mass505.133911 Da
  • ChemSpider ID861392

More details:

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

482638-19-7 [RN]
Acetamide, N-(4-acetylphenyl)-2-[[4-(4-chlorophenyl)-5-[[(4-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(4-Acetylphenyl)-2-{[4-(4-chlorophenyl)-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-{[4-(4-chlorophényl)-5-{[(4-méthylphényl)amino]méthyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-{[4-(4-chlorphenyl)-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
AC1LKOWI
AGN-PC-0JZ3ZX
AKOS000579623
BXGLTJGXWQYIAX-UHFFFAOYSA-N
MCULE-4672119266
More...

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

AG-690/40751370 [DBID]
BAS 02070138 [DBID]
ZINC00648768 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.664
    Molar Refractivity: 142.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.16
    ACD/LogD (pH 5.5): 5.20
    ACD/BCF (pH 5.5): 5292.29
    ACD/KOC (pH 5.5): 16091.58
    ACD/LogD (pH 7.4): 5.20
    ACD/BCF (pH 7.4): 5308.23
    ACD/KOC (pH 7.4): 16140.05
    Polar Surface Area: 114 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 382.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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