1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S858-1638 |
| Compound Name: | 1-{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(4-methoxyphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C19 H28 N2 O4 |
| Smiles: | COCC(N1C[C@@H]2CCN(Cc3ccc(cc3)OC)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5134 |
| logD: | -1.0651 |
| logSw: | -1.4138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.341 |
| InChI Key: | IQCKOEYNNFHAMY-VQIMIIECSA-N |