ChemSpider 2D Image | Ethyl 5-({1-[(4-chlorophenyl)sulfonyl]prolyl}amino)-1-benzothiophene-2-carboxylate | C22H21ClN2O5S2

Ethyl 5-({1-[(4-chlorophenyl)sulfonyl]prolyl}amino)-1-benzothiophene-2-carboxylate

  • Molecular FormulaC22H21ClN2O5S2
  • Average mass492.996 Da
  • Monoisotopic mass492.058044 Da
  • ChemSpider ID21665725

More details:

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

5-({1-[(4-Chlorophényl)sulfonyl]prolyl}amino)-1-benzothiophène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 5-[[[1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinyl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 5-({1-[(4-chlorophenyl)sulfonyl]prolyl}amino)-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-({1-[(4-chlorphenyl)sulfonyl]prolyl}amino)-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
1046045-91-3 [RN]
AGN-PC-015N27
AKOS005536326
AO-080/43441822
ethyl 5-({1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl}carbonylamino)benzo[b]thiophene-2-carboxylate
ethyl 5-[({1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinyl}carbonyl)amino]-1-benzothiophene-2-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.670
    Molar Refractivity: 125.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 4080.87
    ACD/KOC (pH 5.5): 13371.19
    ACD/LogD (pH 7.4): 5.05
    ACD/BCF (pH 7.4): 4080.85
    ACD/KOC (pH 7.4): 13371.13
    Polar Surface Area: 129 Å2
    Polarizability: 49.7±0.5 10-24cm3
    Surface Tension: 66.0±3.0 dyne/cm
    Molar Volume: 335.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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