rel-(3aR,6aR)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | S988-0490 |
| Compound Name: | rel-(3aR,6aR)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C17 H26 N6 O3 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3cnn(C)c3C)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1037 |
| logD: | -6.5591 |
| logSw: | -1.2137 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.818 |
| InChI Key: | VBIVMMXSPGNUPX-WBVHZDCISA-N |