ChemSpider 2D Image | N-[(1R,2R)-2-(Benzoylamino)cyclohexyl]-1-({[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-4-piperidinecarboxamide | C29H41N3O5S

N-[(1R,2R)-2-(Benzoylamino)cyclohexyl]-1-({[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-4-piperidinecarboxamide

  • Molecular FormulaC29H41N3O5S
  • Average mass543.718 Da
  • Monoisotopic mass543.276672 Da
  • ChemSpider ID29226287

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[(1R,2R)-2-(benzoylamino)cyclohexyl]-1-[[[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl]sulfonyl]- [ACD/Index Name]
N-[(1R,2R)-2-(Benzoylamino)cyclohexyl]-1-({[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(1R,2R)-2-(Benzoylamino)cyclohexyl]-1-({[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[(1R,2R)-2-(Benzoylamino)cyclohexyl]-1-({[(1S)-7,7-diméthyl-2-oxobicyclo[2.2.1]hept-1-yl]méthyl}sulfonyl)-4-pipéridinecarboxamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.24
ACD/KOC (pH 5.5): 630.67
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.24
ACD/KOC (pH 7.4): 630.67
Polar Surface Area: 121 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 423.7±5.0 cm3

Click to predict properties on the Chemicalize site


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