2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | P572-5034 |
| Compound Name: | 2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 440.41 |
| Molecular Formula: | C21 H18 F2 N6 O3 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(c(c3)F)OC)=O)C(N2C(Nc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2386 |
| logD: | 3.2318 |
| logSw: | -3.437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.425 |
| InChI Key: | PXWNAQVTJLZTJZ-UHFFFAOYSA-N |