1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB48-0928 |
| Compound Name: | 1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C19 H28 N2 O4 S2 |
| Smiles: | CS(N1CCC(CC1)O[C@H]1C[C@@H]2CC[C@H](C1)N2C(Cc1cccs1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1414 |
| logD: | 0.1414 |
| logSw: | -2.0562 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.5 |
| InChI Key: | WSBZVJKHUAPOLC-GJZGRUSLSA-N |