2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]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-chloro-5-(trifluoromethyl)phenyl]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-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C338-0238 |
| 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-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C19 H12 Br Cl F3 N5 O3 |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3045 |
| logD: | 3.2698 |
| logSw: | -3.6839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.824 |
| InChI Key: | CDJSRKIQAFONOW-UHFFFAOYSA-N |