7-(4-fluoro-3-methylanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(4-fluoro-3-methylanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(4-fluoro-3-methylanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7851 |
| Compound Name: | 7-(4-fluoro-3-methylanilino)-5-methyl-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | CC1=CC(Nc2ccc(c(C)c2)F)=NC2=NN(CCOc3ccccc3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0536 |
| logD: | 4.0525 |
| logSw: | -4.0562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.906 |
| InChI Key: | JSZHVTMCGWEDDC-UHFFFAOYSA-N |