ChemSpider 2D Image | 2-{[3,5-Bis(2-methoxyethoxy)benzoyl]amino}ethyl (2S)-1-(benzylsulfonyl)-2-piperidinecarboxylate | C28H38N2O9S

2-{[3,5-Bis(2-methoxyethoxy)benzoyl]amino}ethyl (2S)-1-(benzylsulfonyl)-2-piperidinecarboxylate

  • Molecular FormulaC28H38N2O9S
  • Average mass578.674 Da
  • Monoisotopic mass578.229797 Da
  • ChemSpider ID76781178

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(Benzylsulfonyl)-2-pipéridinecarboxylate de 2-{[3,5-bis(2-méthoxyéthoxy)benzoyl]amino}éthyle [French] [ACD/IUPAC Name]
2-{[3,5-Bis(2-methoxyethoxy)benzoyl]amino}ethyl (2S)-1-(benzylsulfonyl)-2-piperidinecarboxylate [ACD/IUPAC Name]
2-{[3,5-Bis(2-methoxyethoxy)benzoyl]amino}ethyl-(2S)-1-(benzylsulfonyl)-2-piperidincarboxylat [German] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(phenylmethyl)sulfonyl]-, 2-[[3,5-bis(2-methoxyethoxy)benzoyl]amino]ethyl ester, (2S)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.37
ACD/KOC (pH 5.5): 391.12
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.37
ACD/KOC (pH 7.4): 391.12
Polar Surface Area: 138 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 447.8±5.0 cm3

Click to predict properties on the Chemicalize site


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