2-(4-fluorophenyl)-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-fluorophenyl)-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-fluorophenyl)-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0081 |
| Compound Name: | 2-(4-fluorophenyl)-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H20 F2 N6 O |
| Smiles: | C1CN(CCN1CC1=CC(n2c(N1)nc(c1ccc(cc1)F)n2)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.1916 |
| logD: | 2.8979 |
| logSw: | -3.3436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.333 |
| InChI Key: | CRBHWOLAOFBRIE-UHFFFAOYSA-N |