ChemSpider 2D Image | N-[(4-Ethoxyphenyl)sulfonyl]-N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)cyclohexanecarboxamide | C26H25NO6S2

N-[(4-Ethoxyphenyl)sulfonyl]-N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)cyclohexanecarboxamide

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID3716951

More details:

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

Cyclohexanecarboxamide, N-[(4-ethoxyphenyl)sulfonyl]-N-(2-oxonaphth[2,1-d]-1,3-oxathiol-5-yl)- [ACD/Index Name]
N-[(4-Ethoxyphenyl)sulfonyl]-N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(4-Ethoxyphenyl)sulfonyl]-N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(4-Éthoxyphényl)sulfonyl]-N-(2-oxonaphto[2,1-d][1,3]oxathiol-5-yl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
881294-20-8 [RN]
N-(4-ethoxyphenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 714.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.5±3.0 kJ/mol
    Flash Point: 386.0±35.7 °C
    Index of Refraction: 1.668
    Molar Refractivity: 135.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.58
    ACD/LogD (pH 5.5): 5.47
    ACD/BCF (pH 5.5): 8499.05
    ACD/KOC (pH 5.5): 22606.50
    ACD/LogD (pH 7.4): 5.47
    ACD/BCF (pH 7.4): 8499.05
    ACD/KOC (pH 7.4): 22606.50
    Polar Surface Area: 124 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 364.0±3.0 cm3

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