N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9098 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 512.55 |
| Molecular Formula: | C27 H23 F3 N2 O3 S |
| Smiles: | COc1ccc(CCNC(c2cc(nc3ccccc23)Sc2ccccc2C(F)(F)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.8804 |
| logD: | 5.8804 |
| logSw: | -5.7582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.174 |
| InChI Key: | HWMDXIOULRSOKK-UHFFFAOYSA-N |