1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methyl-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-(3-methyl-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-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S988-1220 |
| 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-(3-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | Cc1ccn(CC(N2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C(c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4642 |
| logD: | 0.4642 |
| logSw: | -1.4188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.959 |
| InChI Key: | KRTDTLJIXOOREC-GCJKJVERSA-N |