7-(4-fluoroanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(4-fluoroanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(4-fluoroanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7609 |
| Compound Name: | 7-(4-fluoroanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C20 H18 F N5 O2 |
| Smiles: | CC1=CC(Nc2ccc(cc2)F)=NC2=NN(CCOc3ccccc3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6248 |
| logD: | 3.6232 |
| logSw: | -3.6608 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.906 |
| InChI Key: | CEEKFOQKHODTFC-UHFFFAOYSA-N |