1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S997-1562 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C22 H32 N2 O3 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(CCCc1ccccc1)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5317 |
| logD: | 2.5317 |
| logSw: | -2.3256 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.701 |
| InChI Key: | HCEPKCOZTKMJER-IFMALSPDSA-N |