methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8692 |
| Compound Name: | methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 406.27 |
| Molecular Formula: | C19 H20 Br N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(ccc1OC)[Br])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8626 |
| logD: | -0.0332 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.725 |
| InChI Key: | GQTAKHZAYOMMGM-KRWDZBQOSA-N |