N-[rel-(3aR,5R,6aR)-2-[(2-methyl-1H-imidazol-1-yl)acetyl]-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-methyl-1H-imidazol-1-yl)acetyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
N-[rel-(3aR,5R,6aR)-2-[(2-methyl-1H-imidazol-1-yl)acetyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
Compound characteristics
| Compound ID: | SB75-1385 |
| Compound Name: | N-[rel-(3aR,5R,6aR)-2-[(2-methyl-1H-imidazol-1-yl)acetyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C18 H26 N6 O4 S |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(Cn1ccnc1C)=O)c1nc(C)no1)NS(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1493 |
| logD: | -1.1744 |
| logSw: | -2.0624 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.131 |
| InChI Key: | PWEBJNJOHGKRCC-RKVPGOIHSA-N |