ChemSpider 2D Image | Ethyl 4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinecarboxylate | C17H30N4O4S

Ethyl 4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinecarboxylate

  • Molecular FormulaC17H30N4O4S
  • Average mass386.509 Da
  • Monoisotopic mass386.198761 Da
  • ChemSpider ID22163829

More details:

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

1-Piperazinecarboxylic acid, 4-[[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl]-, ethyl ester [ACD/Index Name]
4-{[1-Butyl-2-(éthylsulfonyl)-1H-imidazol-5-yl]méthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.0±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 5.95
ACD/KOC (pH 5.5): 101.89
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.98
ACD/KOC (pH 7.4): 205.10
Polar Surface Area: 93 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 307.7±7.0 cm3

Click to predict properties on the Chemicalize site


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