2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | P194-1336 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | CC1=CC(N(CC(N2CCN(CC2)c2ccc(cc2)OC)=O)C(=N1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.672 |
| logD: | 2.6715 |
| logSw: | -2.8355 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.814 |
| InChI Key: | MZTVVPSINLQNGF-UHFFFAOYSA-N |