2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxylic acid
2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | K783-5009 |
| Compound Name: | 2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxylic acid |
| Molecular Weight: | 349.33 |
| Molecular Formula: | C17 H10 F3 N O2 S |
| Smiles: | c1ccc(c(c1)C(F)(F)F)Sc1cc(C(O)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2485 |
| logD: | 0.8784 |
| logSw: | -5.2031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.067 |
| InChI Key: | SXRRILSGSWNXOI-UHFFFAOYSA-N |