2-[5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide
2-[5-(3,4-dimethoxyphenyl)-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: | C338-0636 |
| Compound Name: | 2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 427.39 |
| Molecular Formula: | C20 H18 F N5 O5 |
| Smiles: | COc1ccc(cc1OC)N1C(C2C(C1=O)N(CC(Nc1cccc(c1)F)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0567 |
| logD: | 1.0565 |
| logSw: | -2.3316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.783 |
| InChI Key: | OSIBDANQJVOQNR-UHFFFAOYSA-N |