2-[5-(4-bromo-2-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(4-bromo-2-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
2-[5-(4-bromo-2-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | Y502-0105 |
| Compound Name: | 2-[5-(4-bromo-2-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide |
| Molecular Weight: | 456.3 |
| Molecular Formula: | C20 H18 Br N5 O3 |
| Smiles: | CCc1cc(ccc1N1C(C2C(C1=O)N(CC(Nc1ccccc1)=O)N=N2)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6406 |
| logD: | 2.6405 |
| logSw: | -3.2086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.221 |
| InChI Key: | CJRKLBPYPUTTDF-UHFFFAOYSA-N |