(3-chloro-4-fluorophenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Chemical Structure Depiction of
(3-chloro-4-fluorophenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
(3-chloro-4-fluorophenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Compound characteristics
| Compound ID: | S988-1239 |
| Compound Name: | (3-chloro-4-fluorophenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C21 H24 Cl F N4 O3 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2ccc(c(c2)[Cl])F)=O)C2CCOCC2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9539 |
| logD: | -3.7437 |
| logSw: | -2.9997 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.565 |
| InChI Key: | SJBCJMOXKVBORJ-VFNWGFHPSA-N |