N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-4-yl)acetyl]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-[(pyridin-4-yl)acetyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide
N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-4-yl)acetyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide
Compound characteristics
| Compound ID: | SB75-0897 |
| Compound Name: | N-{rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-4-yl)acetyl]octahydrocyclopenta[c]pyrrol-5-yl}ethanesulfonamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C19 H25 N5 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(Cc1ccncc1)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6189 |
| logD: | 0.6063 |
| logSw: | -2.085 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101 |
| InChI Key: | KACONRQOFUDPJC-MDZRGWNJSA-N |