1-[rel-(3aR,7aR)-2-benzyl-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,7aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-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: | S839-0088 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | CC(N1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7048 |
| logD: | -1.1468 |
| logSw: | -1.8356 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.544 |
| InChI Key: | KJCKBSHDWARYMT-HKUYNNGSSA-N |