3-(3,5-dimethyl-1H-pyrazol-1-yl)-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]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-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]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-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]propan-1-one
Compound characteristics
| Compound ID: | S988-0172 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-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]propan-1-one |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C22 H32 N6 O3 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C2CCOCC2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1246 |
| logD: | -5.6891 |
| logSw: | -0.7575 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.023 |
| InChI Key: | XCAFDURNASTWTQ-GCJKJVERSA-N |