2-[2-(4-fluorophenoxy)ethyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(4-fluorophenoxy)ethyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
2-[2-(4-fluorophenoxy)ethyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7569 |
| Compound Name: | 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-7-(4-methylanilino)[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)cc2)=NC2=NN(CCOc3ccc(cc3)F)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0768 |
| logD: | 4.0762 |
| logSw: | -4.1023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.906 |
| InChI Key: | KVHFSHOLJLELIQ-UHFFFAOYSA-N |