1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methylphenyl)methanesulfonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methylphenyl)methanesulfonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methylphenyl)methanesulfonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-1732 |
| Compound Name: | 1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methylphenyl)methanesulfonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(Cc1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3431 |
| logD: | 1.3431 |
| logSw: | -2.1307 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.55 |
| InChI Key: | GXEXBTAKONQESB-RTBURBONSA-N |