1-[rel-(1R,5S)-3-{[1-(1,2-dimethyl-1H-imidazole-4-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-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one
1-[rel-(1R,5S)-3-{[1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | SB48-0299 |
| Compound Name: | 1-[rel-(1R,5S)-3-{[1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C20 H32 N4 O5 S |
| Smiles: | Cc1nc(cn1C)S(N1CCC(CC1)O[C@H]1C[C@@H]2CC[C@H](C1)N2C(COC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.2088 |
| logD: | -1.2088 |
| logSw: | -1.0604 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.763 |
| InChI Key: | GDJRCSZEBMMKRV-HOTGVXAUSA-N |