1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D306-0110 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 313.42 |
| Molecular Formula: | C17 H19 N3 O S |
| Smiles: | Cc1cc(nc(C)n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9009 |
| logD: | 2.9 |
| logSw: | -3.2899 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.375 |
| InChI Key: | ITWDXNXPGKQMNA-UHFFFAOYSA-N |