1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
Compound characteristics
| Compound ID: | S997-0403 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(CCc1nc(c2ccccc2)no1)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2505 |
| logD: | 1.2505 |
| logSw: | -1.6325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.1 |
| InChI Key: | YNWSVRXMPDQQII-LAUBAEHRSA-N |