(4-methoxyphenyl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(4-methoxyphenyl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(4-methoxyphenyl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8013-7179 |
| Compound Name: | (4-methoxyphenyl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C33 H29 N O6 S |
| Smiles: | CC1=C(C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2cccs2)N1)C(=O)OCc1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7713 |
| logD: | 1.4939 |
| logSw: | -5.5134 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.963 |
| InChI Key: | PMNVPRVFYBOFPZ-UHFFFAOYSA-N |