1-[rel-(3aR,7aS)-2-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S839-0130 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | CC(N1CC[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0466 |
| logD: | 1.0466 |
| logSw: | -1.8265 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.459 |
| InChI Key: | JLDLNPMGPKFPJP-VQIMIIECSA-N |