1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1572 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C18 H27 N3 O4 |
| Smiles: | COCC(N1C[C@@H]2CCN(Cc3cccc(n3)OC)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.239 |
| logD: | -2.3209 |
| logSw: | -1.275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.353 |
| InChI Key: | QYOFLWXNQPDFGE-RDTXWAMCSA-N |