1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylpyridin-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-[(5-methylpyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylpyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1536 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(5-methylpyridin-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C18 H27 N3 O3 |
| Smiles: | Cc1ccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(COC)=O)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1293 |
| logD: | -1.5327 |
| logSw: | -1.2344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.43 |
| InChI Key: | HGPPQJGUSMUBCE-CRAIPNDOSA-N |