4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1470 |
| Compound Name: | 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C25 H25 F N6 O2 |
| Smiles: | CC1=CC(n2c(nc(c3cccc(C)c3)n2)N1CC(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4434 |
| logD: | 3.4433 |
| logSw: | -3.5968 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.998 |
| InChI Key: | ZQSLYVZCCRWLHW-UHFFFAOYSA-N |