rel-(3aR,6aR)-2-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-[(3,4-difluorophenyl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | S988-0418 |
| Compound Name: | rel-(3aR,6aR)-2-[(3,4-difluorophenyl)methyl]-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C18 H22 F2 N4 O3 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3ccc(c(c3)F)F)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8361 |
| logD: | -0.4584 |
| logSw: | -2.4704 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.332 |
| InChI Key: | IZXUDWAPEUBBOZ-KDOFPFPSSA-N |