1-[rel-(1R,5S)-3-{[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(1R,5S)-3-{[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one
1-[rel-(1R,5S)-3-{[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | SB48-0286 |
| Compound Name: | 1-[rel-(1R,5S)-3-{[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 440.53 |
| Molecular Formula: | C21 H29 F N2 O5 S |
| Smiles: | COCC(N1[C@H]2CC[C@@H]1C[C@H](C2)OC1CCN(CC1)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3609 |
| logD: | 0.3609 |
| logSw: | -2.2907 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.413 |
| InChI Key: | SPYJQIPDOYOATP-IRXDYDNUSA-N |