N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[3-(piperidin-1-yl)propanoyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide
Chemical Structure Depiction of
N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[3-(piperidin-1-yl)propanoyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide
N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[3-(piperidin-1-yl)propanoyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide
Compound characteristics
| Compound ID: | SB75-1382 |
| Compound Name: | N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[3-(piperidin-1-yl)propanoyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C20 H33 N5 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(CCN1CCCCC1)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9789 |
| logD: | -0.8766 |
| logSw: | -1.9483 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.555 |
| InChI Key: | VMYSZQZGDZVWIO-HLIPFELVSA-N |