rel-(3aR,6aR)-N-(3-fluoro-2-methylphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N-(3-fluoro-2-methylphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-N-(3-fluoro-2-methylphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S988-1310 |
| Compound Name: | rel-(3aR,6aR)-N-(3-fluoro-2-methylphenyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H28 F N5 O3 |
| Smiles: | Cc1c(cccc1F)NC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4533 |
| logD: | -2.984 |
| logSw: | -2.7734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.688 |
| InChI Key: | WYTIQIRVUMTHJT-ZHRRBRCNSA-N |