propan-2-yl 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
propan-2-yl 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
propan-2-yl 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: | 4323-7118 |
| Compound Name: | propan-2-yl 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: | 489.59 |
| Molecular Formula: | C28 H27 N O5 S |
| Smiles: | CC(C)OC(C1C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2cccs2)NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1606 |
| logD: | 0.6257 |
| logSw: | -4.9169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.994 |
| InChI Key: | JBPQQTUFYUHJOS-UHFFFAOYSA-N |