N-(2-chlorophenyl)-2-[5-(3,4-difluorophenyl)-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-chlorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2-chlorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0416 |
| Compound Name: | N-(2-chlorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 419.77 |
| Molecular Formula: | C18 H12 Cl F2 N5 O3 |
| Smiles: | C(C(Nc1ccccc1[Cl])=O)N1C2C(C(N(C2=O)c2ccc(c(c2)F)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6644 |
| logD: | 1.6642 |
| logSw: | -2.5938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.824 |
| InChI Key: | KKIUKGZKRXDUTM-UHFFFAOYSA-N |