2-(3-chlorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
2-(3-chlorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | T604-0572 |
| Compound Name: | 2-(3-chlorophenyl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C25 H26 Cl F N4 O3 |
| Smiles: | CC1=C(CCO)C(N(CC(N2CCN(CC2)c2ccc(cc2)F)=O)C(c2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4124 |
| logD: | 2.4114 |
| logSw: | -3.1318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.31 |
| InChI Key: | NBMJCUHRFSSLEX-UHFFFAOYSA-N |