2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | P194-1320 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C26 H28 F N5 O2 |
| Smiles: | CC1=CC(N(CC(N2CCN(CC2)c2ccc(cc2)F)=O)C(=N1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7187 |
| logD: | 2.7186 |
| logSw: | -2.8788 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.271 |
| InChI Key: | YKYNOKBGXWRCBA-UHFFFAOYSA-N |