ChemSpider 2D Image | Ethyl 4-{[5-chloro-2-(methoxycarbonyl)-3-thienyl]sulfonyl}-1-piperazinecarboxylate | C13H17ClN2O6S2

Ethyl 4-{[5-chloro-2-(methoxycarbonyl)-3-thienyl]sulfonyl}-1-piperazinecarboxylate

  • Molecular FormulaC13H17ClN2O6S2
  • Average mass396.867 Da
  • Monoisotopic mass396.021667 Da
  • ChemSpider ID26037276

More details:

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

1-Piperazinecarboxylic acid, 4-[[5-chloro-2-(methoxycarbonyl)-3-thienyl]sulfonyl]-, ethyl ester [ACD/Index Name]
4-{[5-Chloro-2-(méthoxycarbonyl)-3-thiényl]sulfonyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[5-chloro-2-(methoxycarbonyl)-3-thienyl]sulfonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[5-chlor-2-(methoxycarbonyl)-3-thienyl]sulfonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1212059-25-0 [RN]
4-(5-Chloro-2-methoxycarbonyl-thiophene-3-sulfonyl)-piperazine-1-carboxylic acid ethyl ester
ethyl 4-(5-chloro-2-methoxycarbonylthiophen-3-yl)sulfonylpiperazine-1-carboxylate
ETHYL 4-[5-CHLORO-2-(METHOXYCARBONYL)THIOPHEN-3-YLSULFONYL]PIPERAZINE-1-CARBOXYLATE
ethyl 4-{[5-chloro-2-(methoxycarbonyl)-3-thienyl]sulfonyl}piperazine-1-carboxylate
ethyl 4-{[5-chloro-2-(methoxycarbonyl)thiophen-3-yl]sulfonyl}piperazine-1-carboxylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 552.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 288.0±32.9 °C
    Index of Refraction: 1.580
    Molar Refractivity: 89.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.59
    ACD/KOC (pH 5.5): 484.37
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.59
    ACD/KOC (pH 7.4): 484.37
    Polar Surface Area: 130 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 269.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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