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-(4-methylphenyl)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-(4-methylphenyl)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-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SC54-0128 |
| 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-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C24 H32 N4 O2 |
| Smiles: | Cc1ccc(CC(N2CC[C@@]3(CN(C[C@@H]3C2)C2CCCC2)c2nnc(C)o2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9099 |
| logD: | -1.6748 |
| logSw: | -2.9491 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.649 |
| InChI Key: | XKZZHZKHJRHRPI-HYBUGGRVSA-N |