1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S997-0331 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(CCCc1ccccc1)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6302 |
| logD: | 1.6302 |
| logSw: | -1.5694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.757 |
| InChI Key: | IXGTXFJGBLZWMT-UYAOXDASSA-N |