N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(3-methyl-1H-pyrazole-5-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-(3-methyl-1H-pyrazole-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(3-methyl-1H-pyrazole-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
Compound characteristics
| Compound ID: | SB75-1371 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(3-methyl-1H-pyrazole-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C17 H24 N6 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(c1cc(C)n[nH]1)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.7834 |
| logD: | 0.7833 |
| logSw: | -2.1593 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.668 |
| InChI Key: | SFMFLFLZAWOBPF-XNJGSVPQSA-N |