1-[rel-(1R,5S)-3-{[1-(5-chlorothiophene-2-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(1R,5S)-3-{[1-(5-chlorothiophene-2-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
1-[rel-(1R,5S)-3-{[1-(5-chlorothiophene-2-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB48-0089 |
| Compound Name: | 1-[rel-(1R,5S)-3-{[1-(5-chlorothiophene-2-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one |
| Molecular Weight: | 432.99 |
| Molecular Formula: | C18 H25 Cl N2 O4 S2 |
| Smiles: | CC(N1[C@H]2CC[C@@H]1C[C@H](C2)OC1CCN(CC1)S(c1ccc(s1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0705 |
| logD: | 1.0705 |
| logSw: | -2.6559 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.003 |
| InChI Key: | KWCKZGVBDPKDMI-KBPBESRZSA-N |