ChemSpider 2D Image | Ethyl 4-[(3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarboxylate | C25H36N6O6S

Ethyl 4-[(3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarboxylate

  • Molecular FormulaC25H36N6O6S
  • Average mass548.655 Da
  • Monoisotopic mass548.241699 Da
  • ChemSpider ID27317433

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-[(3-{[4-(2-Éthoxyphényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)carbonyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(3-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{3-[4-(2-Ethoxy-phenyl)-piperazine-1-sulfonyl]-1-ethyl-1H-pyrazole-4-carbonyl}-piperazine-1-carboxylic acid ethyl ester
ethyl 4-[(3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]piperazine-1-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: 744.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.8±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 5.34
ACD/KOC (pH 5.5): 91.24
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.05
ACD/KOC (pH 7.4): 205.77
Polar Surface Area: 126 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 404.3±7.0 cm3

Click to predict properties on the Chemicalize site


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