1-[rel-(3aR,7aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-hydroxypropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-hydroxypropan-1-one
1-[rel-(3aR,7aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-hydroxypropan-1-one
Compound characteristics
| Compound ID: | S839-0080 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-3-hydroxypropan-1-one |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C20 H24 N4 O4 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CCN(C2)C(c2ccccc2)=O)C(CCO)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0099 |
| logD: | 0.0099 |
| logSw: | -1.4659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.12 |
| InChI Key: | FOJONHIEWQDHPY-OXJNMPFZSA-N |