2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | Y508-4363 |
| Compound Name: | 2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 436.23 |
| Molecular Formula: | C18 H12 Cl2 F N5 O3 |
| Smiles: | C(C(Nc1cccc(c1)F)=O)N1C2C(C(N(C2=O)c2c(cccc2[Cl])[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.655 |
| logD: | 2.6548 |
| logSw: | -3.417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.92 |
| InChI Key: | KQUXICPCRYXSKF-UHFFFAOYSA-N |