4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-2(1H)-one
Chemical Structure Depiction of
4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-2(1H)-one
4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | G856-8136F |
| Compound Name: | 4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-2(1H)-one |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CC1=CC(=NC(N1)=O)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0946 |
| logD: | 2.0308 |
| logSw: | -2.6585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.136 |
| InChI Key: | CADSRFWYTSSYTQ-UHFFFAOYSA-N |