3-[(4-methoxyphenyl)methyl] 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl] 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[(4-methoxyphenyl)methyl] 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0083 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl] 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C26 H27 N O6 S |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OCc2ccc(cc2)OC)c2cccs2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0781 |
| logD: | 0.3491 |
| logSw: | -4.4205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.413 |
| InChI Key: | SYBRBABYWVSVAT-UHFFFAOYSA-N |