2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8013-8834 |
| Compound Name: | 2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C27 H31 N O5 S |
| Smiles: | CCOc1cc(ccc1O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1cccs1)C(=O)OCC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0731 |
| logD: | 0.7273 |
| logSw: | -4.4744 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.556 |
| InChI Key: | ITYYCNUNQXVOOZ-UHFFFAOYSA-N |