N-[(4-chlorophenyl)methyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
N-[(4-chlorophenyl)methyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-1435 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide |
| Molecular Weight: | 433.96 |
| Molecular Formula: | C24 H20 Cl N3 O S |
| Smiles: | CSc1cccc(c1)Nc1cc(C(NCc2ccc(cc2)[Cl])=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4191 |
| logD: | 6.4187 |
| logSw: | -6.2048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.462 |
| InChI Key: | RSYDLFYHLVUKKU-UHFFFAOYSA-N |