1-[4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,2-dimethylquinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,2-dimethylquinolin-1(2H)-yl]ethan-1-one
1-[4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,2-dimethylquinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-2854 |
| Compound Name: | 1-[4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2,2-dimethylquinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C20 H23 N3 O S |
| Smiles: | CC(N1c2ccccc2C(CSc2nc(C)cc(C)n2)=CC1(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7858 |
| logD: | 3.7858 |
| logSw: | -3.9223 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.698 |
| InChI Key: | ZMWSCUCSWREKAP-UHFFFAOYSA-N |