3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4(3H)-one
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | T604-0196 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4(3H)-one |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C25 H27 F N4 O3 |
| Smiles: | CC1=C(CCO)C(N(CC(N2CCN(CC2)c2ccc(cc2)F)=O)C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6704 |
| logD: | 1.6685 |
| logSw: | -1.9024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.31 |
| InChI Key: | RKQCANYNEYKJDU-UHFFFAOYSA-N |