ethyl 4-(4-bromo-2-methylanilino)-6-ethoxyquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromo-2-methylanilino)-6-ethoxyquinoline-3-carboxylate
ethyl 4-(4-bromo-2-methylanilino)-6-ethoxyquinoline-3-carboxylate
Compound characteristics
| Compound ID: | C053-0589 |
| Compound Name: | ethyl 4-(4-bromo-2-methylanilino)-6-ethoxyquinoline-3-carboxylate |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C21 H21 Br N2 O3 |
| Smiles: | CCOC(c1cnc2ccc(cc2c1Nc1ccc(cc1C)[Br])OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9268 |
| logD: | 5.926 |
| logSw: | -5.5077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.787 |
| InChI Key: | DCEHJVQVAQGHFQ-UHFFFAOYSA-N |