2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0213 |
| 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-methoxyphenyl)acetamide |
| Molecular Weight: | 458.27 |
| Molecular Formula: | C19 H16 Br N5 O4 |
| Smiles: | COc1ccccc1NC(CN1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8326 |
| logD: | 1.8326 |
| logSw: | -2.4262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.454 |
| InChI Key: | HKHUVYDWGFKKAM-UHFFFAOYSA-N |