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Search term: LTRGEMKXIMEYAZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 5-chloro-3-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxylate | C15H16ClN3O4S2

Methyl 5-chloro-3-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxylate

  • Molecular FormulaC15H16ClN3O4S2
  • Average mass401.888 Da
  • Monoisotopic mass401.027069 Da
  • ChemSpider ID26039656

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-, methyl ester [ACD/Index Name]
5-Chloro-3-{[4-(2-pyridinyl)-1-pipérazinyl]sulfonyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-3-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-chlor-3-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
1212060-09-7 [RN]
5-Chloro-3-(4-pyridin-2-yl-piperazine-1-sulfonyl)-thiophene-2-carboxylic acid methyl ester
methyl 5-chloro-3-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)thiophene-2-carboxylate
methyl 5-chloro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
methyl 5-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]thiophene-2-carboxylate
METHYL 5-CHLORO-3-[4-(PYRIDIN-2-YL)PIPERAZIN-1-YLSULFONYL]THIOPHENE-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: 602.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 318.3±34.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 96.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.56
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 7.32
    ACD/KOC (pH 7.4): 72.63
    Polar Surface Area: 116 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 61.1±3.0 dyne/cm
    Molar Volume: 272.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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