ChemSpider 2D Image | 1-({[(1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide | C29H41N3O6S

1-({[(1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide

  • Molecular FormulaC29H41N3O6S
  • Average mass559.717 Da
  • Monoisotopic mass559.271606 Da
  • ChemSpider ID29231464

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-({[(1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamid [German] [ACD/IUPAC Name]
1-({[(1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)-N-{trans-4-[(4-methoxybenzoyl)amino]cyclohexyl}-L-prolinamide [ACD/IUPAC Name]
1-({[(1S)-7,7-Diméthyl-2-oxobicyclo[2.2.1]hept-1-yl]méthyl}sulfonyl)-N-{trans-4-[(4-méthoxybenzoyl)amino]cyclohexyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[[[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl]sulfonyl]-N-[trans-4-[(4-methoxybenzoyl)amino]cyclohexyl]-, (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: 1.601
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.26
ACD/KOC (pH 5.5): 320.78
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.26
ACD/KOC (pH 7.4): 320.78
Polar Surface Area: 130 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 429.1±5.0 cm3

Click to predict properties on the Chemicalize site


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