ChemSpider 2D Image | Ethyl (2S,3S,4R)-3-ethyl-1-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-4-piperidinecarboxylate | C26H32N2O4S

Ethyl (2S,3S,4R)-3-ethyl-1-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-4-piperidinecarboxylate

  • Molecular FormulaC26H32N2O4S
  • Average mass468.608 Da
  • Monoisotopic mass468.208282 Da
  • ChemSpider ID26993887

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-3-Éthyl-1-méthyl-2-{1-[(4-méthylphényl)sulfonyl]-1H-indol-3-yl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 3-ethyl-1-methyl-2-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, ethyl ester, (2S,3S,4R)- [ACD/Index Name]
Ethyl (2S,3S,4R)-3-ethyl-1-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-(2S,3S,4R)-3-ethyl-1-methyl-2-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
Ethyl (2S,3S,4R)-(-)-3-ethyl-N-methyl-2-(N-p-toluenesulfonylindol-3-yl)-piperidine-4-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.9±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 18.59
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 217.59
ACD/KOC (pH 7.4): 837.85
Polar Surface Area: 77 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 378.9±7.0 cm3

Click to predict properties on the Chemicalize site


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