5-[(2-ethoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-ethoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-ethoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0119 |
| Compound Name: | 5-[(2-ethoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C20 H18 F N5 O2 |
| Smiles: | CCOc1ccccc1NCC1=CC(n2c(N1)nc(c1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5628 |
| logD: | 3.3589 |
| logSw: | -3.7562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.088 |
| InChI Key: | XLBCLAPCNVVUHF-UHFFFAOYSA-N |