N-[2-(4-chlorophenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[2-(4-chlorophenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9271 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 465.03 |
| Molecular Formula: | C25 H21 Cl N2 O S2 |
| Smiles: | CSc1cccc(c1)Sc1cc(C(NCCc2ccc(cc2)[Cl])=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6837 |
| logD: | 6.6837 |
| logSw: | -6.2592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.913 |
| InChI Key: | ANNFHLWJGCMKKT-UHFFFAOYSA-N |