N-[rel-(3aR,5R,6aR)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
Chemical Structure Depiction of
N-[rel-(3aR,5R,6aR)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
N-[rel-(3aR,5R,6aR)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
Compound characteristics
| Compound ID: | SB75-1345 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C18 H25 N5 O4 S2 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(c1c(C)nc(C)s1)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6892 |
| logD: | 1.6891 |
| logSw: | -2.3181 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.489 |
| InChI Key: | UMQZFHJKXFOTSQ-LBTNJELSSA-N |