2-methylpropyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methylpropyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4568-7314 |
| Compound Name: | 2-methylpropyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 479.59 |
| Molecular Formula: | C27 H29 N O5 S |
| Smiles: | CC(C)COC(C1C(C2=C(CC(CC2=O)c2cccs2)NC=1C)c1ccc(cc1)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7957 |
| logD: | 0.4499 |
| logSw: | -4.6353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.548 |
| InChI Key: | XQBYPMQSPADUCF-UHFFFAOYSA-N |