N-(4-fluorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(4-fluorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C433-0056 |
| Compound Name: | N-(4-fluorophenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 397.36 |
| Molecular Formula: | C19 H16 F N5 O4 |
| Smiles: | COc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(cc1)F)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2571 |
| logD: | 1.257 |
| logSw: | -2.2815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.066 |
| InChI Key: | XTTZVFVWAKYSEO-UHFFFAOYSA-N |