2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one
2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0145 |
| Compound Name: | 2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Smiles: | CC1=CC(NC(=N1)SCC(N1CCN(CC1)c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3026 |
| logD: | 0.5806 |
| logSw: | -2.1843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.282 |
| InChI Key: | XVELJWAOQBTESI-UHFFFAOYSA-N |