[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylpyridin-3-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](5-methylpyridin-3-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](5-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0653 |
| 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](5-methylpyridin-3-yl)methanone |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | Cc1cc(cnc1)C(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)n[nH]1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1146 |
| logD: | 1.114 |
| logSw: | -1.8204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.734 |
| InChI Key: | MALXHLCSSHMOQE-XXBNENTESA-N |