[rel-(3aR,7aS)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone
[rel-(3aR,7aS)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S839-0164 |
| Compound Name: | [rel-(3aR,7aS)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(C2)C(c2cccnc2)=O)C(c2ccccc2)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0096 |
| logD: | 1.0095 |
| logSw: | -1.0716 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.238 |
| InChI Key: | IISNJIZGDTWGDB-WMZHIEFXSA-N |