6-ethoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile
Chemical Structure Depiction of
6-ethoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile
6-ethoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F360-0954 |
| Compound Name: | 6-ethoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile |
| Molecular Weight: | 371.89 |
| Molecular Formula: | C19 H17 N3 O S |
| Salt: | HCl |
| Smiles: | CCOc1ccc2c(c1)c(c(C#N)cn2)Nc1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.34 |
| logD: | 4.3385 |
| logSw: | -4.2277 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.787 |
| InChI Key: | DFGSNQWTUKFHCI-UHFFFAOYSA-N |