N-(3-chloro-4-methoxyphenyl)-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P573-6744 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 442.84 |
| Molecular Formula: | C20 H16 Cl F N6 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N2C=CC(Nc3ccc(cc3)F)=NC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3358 |
| logD: | 3.3333 |
| logSw: | -3.6209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.625 |
| InChI Key: | JBELSJPMIYLQNN-UHFFFAOYSA-N |