2-[5-(2,6-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(2,6-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methylphenyl)acetamide
2-[5-(2,6-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C433-0228 |
| Compound Name: | 2-[5-(2,6-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1ccccc1NC(CN1C2C(C(N(C2=O)c2c(C)cccc2C)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8268 |
| logD: | 1.8267 |
| logSw: | -2.3463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.222 |
| InChI Key: | XYMLIGXWGQOEGG-UHFFFAOYSA-N |