{rel-(3aR,7aS)-2-benzyl-5-[(4-ethoxy-3-methoxyphenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-benzyl-5-[(4-ethoxy-3-methoxyphenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-benzyl-5-[(4-ethoxy-3-methoxyphenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-1857 |
| Compound Name: | {rel-(3aR,7aS)-2-benzyl-5-[(4-ethoxy-3-methoxyphenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C25 H34 N2 O3 |
| Smiles: | CCOc1ccc(CN2CC[C@]3(CN(Cc4ccccc4)C[C@H]3C2)CO)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8013 |
| logD: | -0.765 |
| logSw: | -2.8661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.554 |
| InChI Key: | PQQGNYBAGZOBMH-WIOPSUGQSA-N |