benzyl 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
benzyl 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
benzyl 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: | 4886-7628 |
| Compound Name: | benzyl 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: | 537.63 |
| Molecular Formula: | C32 H27 N O5 S |
| Smiles: | CC1=C(C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2cccs2)N1)C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7889 |
| logD: | 1.5116 |
| logSw: | -5.5561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.419 |
| InChI Key: | IFBHOLABXZQMQW-UHFFFAOYSA-N |