1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methylphenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S988-1109 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | Cc1ccc(CC(N2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C(c2ccccc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7921 |
| logD: | 2.7921 |
| logSw: | -2.8849 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.492 |
| InChI Key: | SHGKEIVJPYRHCM-BWKNWUBXSA-N |