rel-(1R,5S)-8-(methanesulfonyl)-3-[(1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane
Chemical Structure Depiction of
rel-(1R,5S)-8-(methanesulfonyl)-3-[(1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane
rel-(1R,5S)-8-(methanesulfonyl)-3-[(1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | SB48-0229 |
| Compound Name: | rel-(1R,5S)-8-(methanesulfonyl)-3-[(1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C21 H29 F3 N2 O3 S |
| Smiles: | CS(N1[C@H]2CC[C@@H]1C[C@H](C2)OC1CCN(CC1)Cc1ccc(cc1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7934 |
| logD: | -0.0594 |
| logSw: | -2.4474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.647 |
| InChI Key: | VSOZAVFUDQMLLM-OPVJXMOQSA-N |