1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0858 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C18 H27 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1cccc(n1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.291 |
| logD: | -1.1099 |
| logSw: | -1.7675 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.233 |
| InChI Key: | DQZHWWYBBFDHGC-CRAIPNDOSA-N |