ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-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-ethylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4738 |
| Compound Name: | ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 530.48 |
| Molecular Formula: | C26 H28 Br N O4 S |
| Smiles: | CCc1c(COc2ccc(cc2)[Br])cc(C2C(=C(C)NC3CCCC(C2=3)=O)C(=O)OCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3125 |
| logD: | 2.2643 |
| logSw: | -5.4105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.921 |
| InChI Key: | RYECWOXYDXDERJ-VWLOTQADSA-N |