1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S996-0029 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(N1C[C@H]2CCN(C[C@]2(C1)CO)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7511 |
| logD: | 1.7511 |
| logSw: | -1.7435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.757 |
| InChI Key: | GIDQMAUAMBCOOF-UYAOXDASSA-N |