1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC53-0694 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | Cc1nc([C@]23CN(Cc4ccccc4)C[C@@H]3CCN(C2)C(Cc2cccnc2)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2843 |
| logD: | -0.3236 |
| logSw: | -1.9412 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.41 |
| InChI Key: | ZKKGTWZMBWPNDQ-URXFXBBRSA-N |