[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylpyridin-3-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S988-1200 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylpyridin-3-yl)methanone |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | Cc1cc(cnc1)C(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3141 |
| logD: | 1.3138 |
| logSw: | -1.6735 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.627 |
| InChI Key: | PMKYRFQFJRCBHB-XXBNENTESA-N |