2-[5-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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: | C338-0249 |
| Compound Name: | 2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 473.24 |
| Molecular Formula: | C18 H13 Br N6 O5 |
| Smiles: | C(C(Nc1ccccc1[N+]([O-])=O)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8259 |
| logD: | 1.8129 |
| logSw: | -2.4936 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.905 |
| InChI Key: | JLRZGEQAKHTQHR-UHFFFAOYSA-N |