2-[(propan-2-yl)oxy]ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4737-7394 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C29 H29 N O6 S |
| Smiles: | CC(C)OCCOC(C1C(C2=COc3ccccc3C2=O)C2=C(CC(CC2=O)c2cccs2)NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2265 |
| logD: | -0.3083 |
| logSw: | -4.4238 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.81 |
| InChI Key: | XWRZPWDTGSMSLJ-UHFFFAOYSA-N |