rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-({2-[(propan-2-yl)oxy]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-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | S988-1076 |
| Compound Name: | rel-(3aR,6aR)-2-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3ccccc3OC(C)C)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5311 |
| logD: | -1.8781 |
| logSw: | -2.6736 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.221 |
| InChI Key: | LLKLWYXMKRTROV-NQIIRXRSSA-N |