{6-chloro-4-[3-(methylsulfanyl)anilino]quinolin-3-yl}(thiomorpholin-4-yl)methanone
Chemical Structure Depiction of
{6-chloro-4-[3-(methylsulfanyl)anilino]quinolin-3-yl}(thiomorpholin-4-yl)methanone
{6-chloro-4-[3-(methylsulfanyl)anilino]quinolin-3-yl}(thiomorpholin-4-yl)methanone
Compound characteristics
| Compound ID: | F080-1273 |
| Compound Name: | {6-chloro-4-[3-(methylsulfanyl)anilino]quinolin-3-yl}(thiomorpholin-4-yl)methanone |
| Molecular Weight: | 429.99 |
| Molecular Formula: | C21 H20 Cl N3 O S2 |
| Smiles: | CSc1cccc(c1)Nc1c(cnc2ccc(cc12)[Cl])C(N1CCSCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5117 |
| logD: | 4.5069 |
| logSw: | -4.5926 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.256 |
| InChI Key: | PGZRNEJBYYHGAZ-UHFFFAOYSA-N |