2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,6-dimethylphenyl)acetamide
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0573 |
| Compound Name: | 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 429.84 |
| Molecular Formula: | C20 H17 Cl F N5 O3 |
| Smiles: | Cc1cccc(C)c1NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)[Cl])F)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0251 |
| logD: | 2.0249 |
| logSw: | -2.9796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.126 |
| InChI Key: | XMJLUYXXUUEUHW-UHFFFAOYSA-N |