2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-5175 |
| Compound Name: | 2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nc(cc(n2)O)O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.9252 |
| logD: | 2.5706 |
| logSw: | -3.4672 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.608 |
| InChI Key: | UWBHYKWNJWETJN-UHFFFAOYSA-N |