N-[(2-chloro-4-fluorophenyl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P573-6786 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 444.83 |
| Molecular Formula: | C20 H15 Cl F2 N6 O2 |
| Smiles: | C(c1ccc(cc1[Cl])F)NC(CN1C(N2C=CC(Nc3ccc(cc3)F)=NC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4259 |
| logD: | 3.4234 |
| logSw: | -3.6924 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.317 |
| InChI Key: | WHIGNJHVSLJDIE-UHFFFAOYSA-N |