ChemSpider 2D Image | Ethyl 4-{[4-(1-pyrrolidinylsulfonyl)-1H-imidazol-1-yl]acetyl}-1-piperazinecarboxylate | C16H25N5O5S

Ethyl 4-{[4-(1-pyrrolidinylsulfonyl)-1H-imidazol-1-yl]acetyl}-1-piperazinecarboxylate

  • Molecular FormulaC16H25N5O5S
  • Average mass399.465 Da
  • Monoisotopic mass399.157654 Da
  • ChemSpider ID21909215

More details:






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

1-Piperazinecarboxylic acid, 4-[2-[4-(1-pyrrolidinylsulfonyl)-1H-imidazol-1-yl]acetyl]-, ethyl ester [ACD/Index Name]
4-{2-[4-(1-Pyrrolidinylsulfonyl)-1H-imidazol-1-yl]acétyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[4-(1-pyrrolidinylsulfonyl)-1H-imidazol-1-yl]acetyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[4-(1-pyrrolidinylsulfonyl)-1H-imidazol-1-yl]acetyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 656.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.46
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.47
Polar Surface Area: 113 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 272.9±7.0 cm3

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