ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7604 |
| Compound Name: | ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 526.43 |
| Molecular Formula: | C27 H28 Br N O5 |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(c(COc2ccccc2[Br])c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1844 |
| logD: | 1.2887 |
| logSw: | -5.0425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.62 |
| InChI Key: | KMQFJGJDSFMVHI-VWLOTQADSA-N |