ChemSpider 2D Image | Methyl 2-({N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H30N2O7S2

Methyl 2-({N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID3535635

More details:

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

2-({N-[(3,4-Diméthoxyphényl)sulfonyl]-N-(4-méthylphényl)glycyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-[[(3,4-dimethoxyphenyl)sulfonyl](4-methylphenyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-({N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-({N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{2-[(3,4-Dimethoxy-benzenesulfonyl)-p-tolyl-amino]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
754994-39-3 [RN]
methyl 2-(2-(3,4-dimethoxy-N-(p-tolyl)phenylsulfonamido)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
methyl 2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.619
    Molar Refractivity: 145.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.43
    ACD/LogD (pH 5.5): 5.45
    ACD/BCF (pH 5.5): 8117.99
    ACD/KOC (pH 5.5): 21876.30
    ACD/LogD (pH 7.4): 5.45
    ACD/BCF (pH 7.4): 8117.88
    ACD/KOC (pH 7.4): 21875.99
    Polar Surface Area: 148 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 413.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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