methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0018 |
| Compound Name: | methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 422.27 |
| Molecular Formula: | C19 H20 Br N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(c(c(c1)[Br])O)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7891 |
| logD: | -1.1067 |
| logSw: | -3.0616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.205 |
| InChI Key: | QGTAUUCNYSAFKW-INIZCTEOSA-N |