rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(5-methylpyridin-2-yl)methyl]octahydropyrrolo[3,4-c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(5-methylpyridin-2-yl)methyl]octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(5-methylpyridin-2-yl)methyl]octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | S988-0454 |
| Compound Name: | rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(5-methylpyridin-2-yl)methyl]octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C18 H25 N5 O3 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3ccc(C)cn3)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.209 |
| logD: | -1.5673 |
| logSw: | -2.1209 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.965 |
| InChI Key: | XHKDAEMEEAOMFJ-QAPCUYQASA-N |