ethyl 4-{4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1415 |
| Compound Name: | ethyl 4-{4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 516.45 |
| Molecular Formula: | C25 H26 Br N O4 S |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(COc2ccc(cc2)[Br])c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8293 |
| logD: | 1.7811 |
| logSw: | -5.4116 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.921 |
| InChI Key: | QRZJTKMPSSMHMG-DEOSSOPVSA-N |