diethyl 4-(5-tert-butylthiophen-2-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(5-tert-butylthiophen-2-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 4-(5-tert-butylthiophen-2-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 4404-0113 |
| Compound Name: | diethyl 4-(5-tert-butylthiophen-2-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 551.7 |
| Molecular Formula: | C31 H37 N O6 S |
| Smiles: | CCOC(C1C(CC2=C(C(C(=C(C)N2)C(=O)OCC)c2ccc(C(C)(C)C)s2)C1=O)c1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5074 |
| logD: | 2.1321 |
| logSw: | -5.5914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.618 |
| InChI Key: | UYYFVOIBQZFUNG-UHFFFAOYSA-N |