N-[3-(butylsulfanyl)propyl]-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide
N-[3-(butylsulfanyl)propyl]-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-5779 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide |
| Molecular Weight: | 461.55 |
| Molecular Formula: | C24 H26 F3 N3 O S |
| Smiles: | CCCCSCCCNC(c1cc(Nc2cccc(c2)C(F)(F)F)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8725 |
| logD: | 6.8703 |
| logSw: | -5.9188 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.575 |
| InChI Key: | VMAQZPNCFMPRDF-UHFFFAOYSA-N |