2-(3-chlorophenyl)-1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
2-(3-chlorophenyl)-1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB48-0916 |
| Compound Name: | 2-(3-chlorophenyl)-1-[rel-(1R,5S)-3-{[1-(methanesulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one |
| Molecular Weight: | 440.99 |
| Molecular Formula: | C21 H29 Cl N2 O4 S |
| Smiles: | CS(N1CCC(CC1)O[C@H]1C[C@@H]2CC[C@H](C1)N2C(Cc1cccc(c1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2912 |
| logD: | 1.2912 |
| logSw: | -2.6533 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.482 |
| InChI Key: | BVLKNELIRSEASF-RUYXUALKSA-N |