ChemSpider 2D Image | Ethyl 2-({2-[(1-{2-[(2,4-dichlorobenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]propanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | C30H29Cl2N3O4S2

Ethyl 2-({2-[(1-{2-[(2,4-dichlorobenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]propanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

  • Molecular FormulaC30H29Cl2N3O4S2
  • Average mass630.605 Da
  • Monoisotopic mass629.097656 Da
  • ChemSpider ID2548607

More details:






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

2-({2-[(1-{2-[(2,4-Dichlorobenzoyl)amino]éthyl}-1H-indol-3-yl)sulfanyl]propanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1H-indol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-, ethyl ester [ACD/Index Name]
Ethyl 2-({2-[(1-{2-[(2,4-dichlorobenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]propanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({2-[(1-{2-[(2,4-dichlorbenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]propanoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]
532975-67-0 [RN]
ethyl 2-(2-((1-(2-(2,4-dichlorobenzamido)ethyl)-1H-indol-3-yl)thio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(1-{2-[(2,4-dichlorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-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: 838.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 121.9±3.0 kJ/mol
    Flash Point: 461.2±34.3 °C
    Index of Refraction: 1.688
    Molar Refractivity: 166.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.89
    ACD/LogD (pH 5.5): 7.53
    ACD/BCF (pH 5.5): 313905.56
    ACD/KOC (pH 5.5): 299352.22
    ACD/LogD (pH 7.4): 7.53
    ACD/BCF (pH 7.4): 313904.16
    ACD/KOC (pH 7.4): 299350.88
    Polar Surface Area: 143 Å2
    Polarizability: 66.0±0.5 10-24cm3
    Surface Tension: 55.3±7.0 dyne/cm
    Molar Volume: 436.5±7.0 cm3

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