N-(2,4-dichlorophenyl)-2-[5-(2,4-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-(2,4-dichlorophenyl)-2-[5-(2,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2,4-dichlorophenyl)-2-[5-(2,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C200-1354 |
| Compound Name: | N-(2,4-dichlorophenyl)-2-[5-(2,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 454.22 |
| Molecular Formula: | C18 H11 Cl2 F2 N5 O3 |
| Smiles: | C(C(Nc1ccc(cc1[Cl])[Cl])=O)N1C2C(C(N(C2=O)c2ccc(cc2F)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2413 |
| logD: | 2.2325 |
| logSw: | -3.1521 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.523 |
| InChI Key: | VMSKQADEBYZSIS-UHFFFAOYSA-N |