ChemSpider 2D Image | Ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diethylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylate | C27H30N2O7S2

Ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diethylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID3352863

More details:

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

3-Thiophenecarboxylic acid, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[4-[(diethylamino)sulfonyl]benzoyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-(1,3-Benzodioxol-5-ylméthyl)-2-{[4-(diéthylsulfamoyl)benzoyl]amino}-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diethylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diethylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
476365-31-8 [RN]
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylthiophene-3-carboxylate
ethyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-(N,N-diethylsulfamoyl)benzamido)-4-methylthiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(diethylsulfamoyl)benzamido]-4-methylthiophene-3-carboxylate

    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: 1.611
    Molar Refractivity: 145.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.52
    ACD/LogD (pH 5.5): 6.02
    ACD/BCF (pH 5.5): 22122.53
    ACD/KOC (pH 5.5): 44835.14
    ACD/LogD (pH 7.4): 6.02
    ACD/BCF (pH 7.4): 22121.71
    ACD/KOC (pH 7.4): 44833.46
    Polar Surface Area: 148 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 417.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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