N-[2-(4-chlorophenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
N-[2-(4-chlorophenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-1436 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide |
| Molecular Weight: | 447.99 |
| Molecular Formula: | C25 H22 Cl N3 O S |
| Smiles: | CSc1cccc(c1)Nc1cc(C(NCCc2ccc(cc2)[Cl])=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3526 |
| logD: | 6.3522 |
| logSw: | -6.1575 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.304 |
| InChI Key: | MCUVBMONFUBRSE-UHFFFAOYSA-N |