1-[rel-(3aR,7aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-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]ethan-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]ethan-1-one
Compound characteristics
| Compound ID: | S839-0052 |
| 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]ethan-1-one |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | CC(N1C[C@@H]2CCN(C[C@@]2(C1)c1nc(C)no1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0151 |
| logD: | 1.0151 |
| logSw: | -1.8055 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.459 |
| InChI Key: | MZFMXZFPEVKXFN-QFBILLFUSA-N |