1-[rel-(1R,5S)-3-({1-[(4-methylphenyl)methanesulfonyl]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-[(4-methylphenyl)methanesulfonyl]piperidin-4-yl}oxy)-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
1-[rel-(1R,5S)-3-({1-[(4-methylphenyl)methanesulfonyl]piperidin-4-yl}oxy)-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB48-0145 |
| Compound Name: | 1-[rel-(1R,5S)-3-({1-[(4-methylphenyl)methanesulfonyl]piperidin-4-yl}oxy)-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C22 H32 N2 O4 S |
| Smiles: | CC(N1[C@H]2CC[C@@H]1C[C@H](C2)OC1CCN(CC1)S(Cc1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7116 |
| logD: | 0.7116 |
| logSw: | -2.0841 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.879 |
| InChI Key: | SSMVVDMPVLFDHQ-PMACEKPBSA-N |