2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 2691-0056 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CC1=CC(NC(=N1)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8378 |
| logD: | 1.1158 |
| logSw: | -2.3173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.357 |
| InChI Key: | AXQZYNCOBUMZNP-UHFFFAOYSA-N |