1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(1H-pyrazol-1-yl)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-(1H-pyrazol-1-yl)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-(1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S988-1003 |
| 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-(1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H22 N6 O3 |
| Smiles: | Cc1nc([C@@]23CN(C[C@H]3CN(C2)C(c2ccccc2)=O)C(Cn2cccn2)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3119 |
| logD: | 0.3119 |
| logSw: | -1.3259 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.286 |
| InChI Key: | YYTDWJVSUAMYTL-UTKZUKDTSA-N |