2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0455 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H28 F N7 O |
| Smiles: | CCc1ccc(CNc2nc3NC(CN4CCN(CC4)c4ccc(cc4)F)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5107 |
| logD: | 3.145 |
| logSw: | -3.5801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.974 |
| InChI Key: | KFAZQIXKUAOQSO-UHFFFAOYSA-N |