2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-nitrophenyl)acetamide
2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C338-0113 |
| Compound Name: | 2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C19 H16 N6 O5 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccccc1[N+]([O-])=O)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4154 |
| logD: | 1.4024 |
| logSw: | -2.425 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.905 |
| InChI Key: | IXQKZKXFKWDJRZ-UHFFFAOYSA-N |