{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0656 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 355.45 |
| Molecular Formula: | C16 H25 N3 O4 S |
| Smiles: | COc1cccc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.612 |
| logD: | -1.0455 |
| logSw: | -1.8807 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.011 |
| InChI Key: | UMHFFWXJSFMSPW-CZUORRHYSA-N |