rel-(3aR,6aR)-2-(ethanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(ethanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-(ethanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | S988-0445 |
| Compound Name: | rel-(3aR,6aR)-2-(ethanesulfonyl)-5-[(6-methoxypyridin-2-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C18 H25 N5 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3cccc(n3)OC)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3186 |
| logD: | -2.3632 |
| logSw: | -2.2361 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.887 |
| InChI Key: | JVLSQGDUTLQRLB-KDOFPFPSSA-N |