methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0217 |
| Compound Name: | methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C25 H25 N O6 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1ccc(c(c1)OC)OC(C)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6906 |
| logD: | -0.6552 |
| logSw: | -4.1058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.31 |
| InChI Key: | SSNHXSXJTZWURE-UHFFFAOYSA-N |