N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(1-methyl-1H-pyrrole-2-carbonyl)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-(1-methyl-1H-pyrrole-2-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(1-methyl-1H-pyrrole-2-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
Compound characteristics
| Compound ID: | SB75-0963 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(1-methyl-1H-pyrrole-2-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C18 H25 N5 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(c1cccn1C)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7228 |
| logD: | 1.7228 |
| logSw: | -2.5762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.517 |
| InChI Key: | KCUVOHKNCJAOBZ-LBTNJELSSA-N |