2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | P573-6765 |
| Compound Name: | 2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C21 H19 F N6 O2 |
| Smiles: | Cc1ccc(CNC(CN2C(N3C=CC(Nc4ccc(cc4)F)=NC3=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8263 |
| logD: | 2.8238 |
| logSw: | -3.2706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.317 |
| InChI Key: | WPMIYFFROHMISW-UHFFFAOYSA-N |