1-[rel-(3aR,7aS)-5-[(3,4-dimethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(3,4-dimethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(3,4-dimethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-1114 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(3,4-dimethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C19 H28 N2 O4 |
| Smiles: | CC(N1C[C@@H]2CCN(Cc3ccc(c(c3)OC)OC)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6202 |
| logD: | -2.3939 |
| logSw: | -1.641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.63 |
| InChI Key: | BDYDRBUGNFHXGY-QFBILLFUSA-N |