5-[(2-ethoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-ethoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-ethoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0299 |
| Compound Name: | 5-[(2-ethoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C21 H21 F N6 O2 |
| Smiles: | CCOc1ccccc1NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9803 |
| logD: | 2.6937 |
| logSw: | -3.3908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.728 |
| InChI Key: | LGOOMCRAPKOVGN-UHFFFAOYSA-N |