1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC54-0257 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | Cc1nnc([C@@]23CCN(C[C@H]3CN(Cc3ccccc3)C2)C(Cc2cccs2)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3278 |
| logD: | -0.9043 |
| logSw: | -2.4582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.749 |
| InChI Key: | ZNAFVRJXFAZFIP-WMZHIEFXSA-N |