N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-phenylmethanesulfonamide
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]-1-phenylmethanesulfonamide
N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | SB75-0977 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-(methanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-phenylmethanesulfonamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C18 H24 N4 O5 S2 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)S(C)(=O)=O)c1nc(C)no1)NS(Cc1ccccc1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.1981 |
| logD: | 1.198 |
| logSw: | -2.2395 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.655 |
| InChI Key: | NTJLYQVQXJFIDF-NUJGCVRESA-N |