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

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

  • Molecular FormulaC26H24ClN5O2S
  • Average mass506.019 Da
  • Monoisotopic mass505.133911 Da
  • ChemSpider ID1017323

More details:

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

Acetamide, N-(4-acetylphenyl)-2-[[5-[[(3-chlorophenyl)amino]methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(4-Acetylphenyl)-2-{[5-{[(3-chlorophenyl)amino]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-{[5-{[(3-chlorophényl)amino]méthyl}-4-(4-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-{[5-{[(3-chlorphenyl)amino]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
333324-36-0 [RN]
AC1LNR6V
AGN-PC-0K20G9
AKOS000571442
MCULE-4819588129
MolPort-001-977-101
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/40753162 [DBID]
ASN 02224039 [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: 6.69
    ACD/LogD (pH 5.5): 5.33
    ACD/BCF (pH 5.5): 6615.35
    ACD/KOC (pH 5.5): 18893.64
    ACD/LogD (pH 7.4): 5.33
    ACD/BCF (pH 7.4): 6616.73
    ACD/KOC (pH 7.4): 18897.56
    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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