4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0056 |
| Compound Name: | 4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 327.83 |
| Molecular Formula: | C17 H13 N3 S |
| Salt: | HCl |
| Smiles: | CSc1cccc(c1)Nc1c(C#N)cnc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8125 |
| logD: | 3.8125 |
| logSw: | -4.005 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.664 |
| InChI Key: | XUFWZXXPXDTGFN-UHFFFAOYSA-N |