N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0498 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 429.84 |
| Molecular Formula: | C20 H17 Cl F N5 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C2C(C1=O)N(CC(Nc1ccc(c(c1)[Cl])F)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1083 |
| logD: | 3.0996 |
| logSw: | -3.3807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | GWYXAYIZWQSYFJ-UHFFFAOYSA-N |