rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[4-(propan-2-yl)phenyl]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-{[4-(propan-2-yl)phenyl]methyl}octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | S988-0499 |
| Compound Name: | rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3ccc(cc3)C(C)C)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9488 |
| logD: | -0.543 |
| logSw: | -3.0825 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.332 |
| InChI Key: | PELVSIMXKZNPSP-CTNGQTDRSA-N |