2-(4-chlorophenyl)-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-chlorophenyl)-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1287 |
| Compound Name: | 2-(4-chlorophenyl)-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 480.93 |
| Molecular Formula: | C24 H22 Cl F N6 O2 |
| Smiles: | CC1=CC(n2c(nc(c3ccc(cc3)[Cl])n2)N1CC(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6688 |
| logD: | 3.6688 |
| logSw: | -4.1428 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.998 |
| InChI Key: | SARUGSSMRXAQFE-UHFFFAOYSA-N |