1-[rel-(3aR,7aS)-5-[(4-fluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(4-fluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methoxyethan-1-one
1-[rel-(3aR,7aS)-5-[(4-fluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1821 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(4-fluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 336.4 |
| Molecular Formula: | C18 H25 F N2 O3 |
| Smiles: | COCC(N1C[C@@H]2CCN(Cc3ccc(cc3)F)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5601 |
| logD: | -0.8864 |
| logSw: | -1.3964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.797 |
| InChI Key: | CMWUUXZGZMUPDC-CRAIPNDOSA-N |