2-(2-methylphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-methylphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(2-methylphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB47-0685 |
| Compound Name: | 2-(2-methylphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | Cc1ccccc1CC(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)n[nH]1)C(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7386 |
| logD: | 1.7382 |
| logSw: | -1.5535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.117 |
| InChI Key: | QGFNJFYIHOKLGI-YKSBVNFPSA-N |