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

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

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID3180238

More details:

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

2-{[N-(3,4-Diméthoxyphényl)-N-(phénylsulfonyl)glycyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-[(3,4-dimethoxyphenyl)(phenylsulfonyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-{[N-(3,4-dimethoxyphenyl)-N-(phenylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[N-(3,4-dimethoxyphenyl)-N-(phenylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{2-[Benzenesulfonyl-(3,4-dimethoxy-phenyl)-amino]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
737773-33-0 [RN]
ethyl 2-(2-(N-(3,4-dimethoxyphenyl)phenylsulfonamido)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]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: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.79
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1835.10
    ACD/KOC (pH 5.5): 7546.13
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 1835.07
    ACD/KOC (pH 7.4): 7546.02
    Polar Surface Area: 148 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 413.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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