[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-2-yl)methanone
Compound characteristics
| Compound ID: | SB47-0584 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-2-yl)methanone |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | Cc1cccc(C(N2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5712 |
| logD: | 1.5709 |
| logSw: | -1.9271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.549 |
| InChI Key: | JZGSAXGUUPQYAR-JPYJTQIMSA-N |