ChemSpider 2D Image | Ethyl 1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxylate | C20H33N3O4S

Ethyl 1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxylate

  • Molecular FormulaC20H33N3O4S
  • Average mass411.559 Da
  • Monoisotopic mass411.219177 Da
  • ChemSpider ID22501474

More details:

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

1-{[1-(Cyclohexylméthyl)-2-(méthylsulfonyl)-1H-imidazol-5-yl]méthyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-{[1-(CYCLOHEXYLMETHYL)-2-METHANESULFONYL-1H-IMIDAZOL-5-YL]METHYL}PIPERIDINE-3-CARBOXYLATE
ETHYL 1-{[3-(CYCLOHEXYLMETHYL)-2-METHANESULFONYLIMIDAZOL-4-YL]METHYL}PIPERIDINE-3-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: 552.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.1±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 17.12
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 71.07
ACD/KOC (pH 7.4): 614.72
Polar Surface Area: 90 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 317.5±7.0 cm3

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