1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one
1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S988-0161 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | Cc1ccccc1CC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5656 |
| logD: | -3.2482 |
| logSw: | -2.4269 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.038 |
| InChI Key: | MKXBHKDCNJKJDB-XXBNENTESA-N |