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-(3-methylphenoxy)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-(3-methylphenoxy)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-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S988-1286 |
| 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-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | Cc1cccc(c1)OCC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8018 |
| logD: | -4.0119 |
| logSw: | -2.1831 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.537 |
| InChI Key: | AQIBPJLWDCUWMK-JPYJTQIMSA-N |