1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-3-yl)ethan-1-one
1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC54-0140 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | Cc1nnc([C@@]23CCN(C[C@H]3CN(C2)C2CCCC2)C(Cc2ccsc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.238 |
| logD: | -2.3468 |
| logSw: | -2.4497 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.667 |
| InChI Key: | GINJRPAVQSVBHI-DYESRHJHSA-N |