7-methoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-methoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
7-methoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0681 |
| Compound Name: | 7-methoxy-4-[3-(methylsulfanyl)anilino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 357.86 |
| Molecular Formula: | C18 H15 N3 O S |
| Salt: | HCl |
| Smiles: | COc1ccc2c(c(C#N)cnc2c1)Nc1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.9703 |
| logD: | 3.9702 |
| logSw: | -4.3039 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.208 |
| InChI Key: | NLKZMCQABIUGJY-UHFFFAOYSA-N |