ChemSpider 2D Image | N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C27H26N4O5S

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID1498011

More details:

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

Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-éthoxyphényl)-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
900260-99-3 [RN]
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[4-(4-ethoxyphenyl)-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]acetamide

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

ZINC02350419 [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: 1.654
    Molar Refractivity: 141.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.95
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1837.66
    ACD/KOC (pH 5.5): 7553.56
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 1837.68
    ACD/KOC (pH 7.4): 7553.65
    Polar Surface Area: 122 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 52.9±7.0 dyne/cm
    Molar Volume: 385.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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