1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S997-0533 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 392.54 |
| Molecular Formula: | C25 H32 N2 O2 |
| Smiles: | C(CC(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4704 |
| logD: | -0.5809 |
| logSw: | -3.2641 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.102 |
| InChI Key: | OJDAZMFBTLAIEO-ILBGXUMGSA-N |