2-(4-chlorophenyl)-1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-(4-chlorophenyl)-1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC54-0131 |
| Compound Name: | 2-(4-chlorophenyl)-1-[rel-(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 428.96 |
| Molecular Formula: | C23 H29 Cl N4 O2 |
| Smiles: | Cc1nnc([C@@]23CCN(C[C@H]3CN(C2)C2CCCC2)C(Cc2ccc(cc2)[Cl])=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0813 |
| logD: | -1.5035 |
| logSw: | -3.3754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.649 |
| InChI Key: | NVDIVDGXGSECTP-WZONZLPQSA-N |