1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(phenylmethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(phenylmethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(phenylmethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0819 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(phenylmethanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C18 H26 N2 O4 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9197 |
| logD: | 0.9197 |
| logSw: | -1.9769 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.55 |
| InChI Key: | LFOQHFAFONXLGF-QZTJIDSGSA-N |