N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0306 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 469.78 |
| Molecular Formula: | C19 H12 Cl F4 N5 O3 |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)N1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4997 |
| logD: | 2.465 |
| logSw: | -3.4792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.824 |
| InChI Key: | IDCSWVOQDAOJGU-UHFFFAOYSA-N |