1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S996-0739 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-5-(propan-2-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 344.5 |
| Molecular Formula: | C21 H32 N2 O2 |
| Smiles: | CC(C)N1CC[C@@H]2CN(C[C@@]2(C1)CO)C(CCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7897 |
| logD: | -0.542 |
| logSw: | -2.8612 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.425 |
| InChI Key: | BTOIHALLLWNZRR-TZIWHRDSSA-N |