[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-fluoropyridin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-fluoropyridin-2-yl)methanone
[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-fluoropyridin-2-yl)methanone
Compound characteristics
| Compound ID: | S988-1059 |
| Compound Name: | [rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-fluoropyridin-2-yl)methanone |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C17 H20 F N5 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(c1ccc(cn1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7149 |
| logD: | 0.7149 |
| logSw: | -2.0741 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.385 |
| InChI Key: | XYQMUVNPCRDDSF-PXAZEXFGSA-N |