N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2,3-dimethoxybenzamide
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | SB75-0989 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2,3-dimethoxybenzamide |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C20 H26 N4 O6 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NC(c1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4728 |
| logD: | 1.4728 |
| logSw: | -2.5267 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.817 |
| InChI Key: | UUASMYIYUACSDN-CKNLXJGOSA-N |