7-(4-fluoroanilino)-5-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(4-fluoroanilino)-5-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(4-fluoroanilino)-5-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7620 |
| Compound Name: | 7-(4-fluoroanilino)-5-methyl-2-[(3-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C20 H18 F N5 O |
| Smiles: | CC1=CC(Nc2ccc(cc2)F)=NC2=NN(Cc3cccc(C)c3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0943 |
| logD: | 4.0926 |
| logSw: | -4.2559 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.51 |
| InChI Key: | KNHKZDBIEFQUPH-UHFFFAOYSA-N |