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Search term: C15H16ClN3O4S2 (Found by synonym)

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
C15H16ClN3O4S2
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
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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