ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C27H26N4O5S

N-(1,3-Benzodioxol-5-yl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID1427866

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

Acetamide, N-1,3-benzodioxol-5-yl-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-({4-(4-éthoxyphényl)-5-[(4-méthylphénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
896807-79-7 [RN]
AC1LXQ2X
AC1Q36OE
AGN-PC-0K9INA
AKOS005499905
MCULE-2130059882
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC02200721 [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: 1.655
    Molar Refractivity: 141.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.60
    ACD/LogD (pH 5.5): 4.97
    ACD/BCF (pH 5.5): 3546.77
    ACD/KOC (pH 5.5): 12093.70
    ACD/LogD (pH 7.4): 4.97
    ACD/BCF (pH 7.4): 3546.78
    ACD/KOC (pH 7.4): 12093.75
    Polar Surface Area: 122 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 51.8±7.0 dyne/cm
    Molar Volume: 385.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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