2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-difluorophenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-difluorophenyl)acetamide
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | C338-0403 |
| Compound Name: | 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-difluorophenyl)acetamide |
| Molecular Weight: | 449.8 |
| Molecular Formula: | C19 H14 Cl F2 N5 O4 |
| Smiles: | COc1ccc(cc1[Cl])N1C(C2C(C1=O)N(CC(Nc1cc(ccc1F)F)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7882 |
| logD: | 1.7776 |
| logSw: | -2.8487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.454 |
| InChI Key: | GYPDRMMKRFBZJU-UHFFFAOYSA-N |