ChemSpider 2D Image | Ethyl 4-{[2,5-dimethyl-4-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-1-piperazinecarboxylate | C18H28N4O5S

Ethyl 4-{[2,5-dimethyl-4-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-1-piperazinecarboxylate

  • Molecular FormulaC18H28N4O5S
  • Average mass412.504 Da
  • Monoisotopic mass412.178040 Da
  • ChemSpider ID21908743

More details:

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

1-Piperazinecarboxylic acid, 4-[[2,5-dimethyl-4-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl]-, ethyl ester [ACD/Index Name]
4-{[2,5-Diméthyl-4-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[2,5-dimethyl-4-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[2,5-dimethyl-4-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-{[2,5-dimethyl-4-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 36.02
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 36.02
Polar Surface Area: 111 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 308.2±3.0 cm3

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