2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,5-dimethoxyphenyl)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-(3,5-dimethoxyphenyl)acetamide
2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0229 |
| 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-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 488.3 |
| Molecular Formula: | C20 H18 Br N5 O5 |
| Smiles: | COc1cc(cc(c1)OC)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2186 |
| logD: | 2.2184 |
| logSw: | -2.997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.609 |
| InChI Key: | FKUFPRXCLQHFSL-UHFFFAOYSA-N |