{rel-(3aR,7aR)-2-benzyl-5-[(pyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aR)-2-benzyl-5-[(pyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aR)-2-benzyl-5-[(pyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-1834 |
| Compound Name: | {rel-(3aR,7aR)-2-benzyl-5-[(pyridin-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 337.46 |
| Molecular Formula: | C21 H27 N3 O |
| Smiles: | C1CN(Cc2ccccn2)C[C@@H]2CN(Cc3ccccc3)C[C@]12CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7505 |
| logD: | -1.8158 |
| logSw: | -1.4031 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.257 |
| InChI Key: | VDHCKKISNWNNHL-PZJWPPBQSA-N |