6-chloro-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-chloro-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
6-chloro-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0408 |
| Compound Name: | 6-chloro-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 362.28 |
| Molecular Formula: | C17 H12 Cl N3 S |
| Salt: | HCl |
| Smiles: | CSc1cccc(c1)Nc1c(C#N)cnc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6045 |
| logD: | 4.6045 |
| logSw: | -4.7742 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.664 |
| InChI Key: | CRWWJVZBNLMBRW-UHFFFAOYSA-N |