ethyl 4-(4-bromo-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromo-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
ethyl 4-(4-bromo-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
Compound characteristics
| Compound ID: | C053-0313 |
| Compound Name: | ethyl 4-(4-bromo-2-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate |
| Molecular Weight: | 453.26 |
| Molecular Formula: | C20 H16 Br F3 N2 O2 |
| Smiles: | CCOC(c1cnc2cc(ccc2c1Nc1ccc(cc1C)[Br])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3967 |
| logD: | 6.3967 |
| logSw: | -5.7347 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.664 |
| InChI Key: | VAVCYMOIOOQKFK-UHFFFAOYSA-N |