3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid
3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 5695-0937 |
| Compound Name: | 3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid |
| Molecular Weight: | 404.34 |
| Molecular Formula: | C20 H15 F3 N2 O4 |
| Smiles: | CCOC(c1cnc2c(cccc2c1Nc1cccc(c1)C(O)=O)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9907 |
| logD: | 1.6963 |
| logSw: | -4.4922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.54 |
| InChI Key: | BKFIKQNQHXENBS-UHFFFAOYSA-N |