2-phenylethyl 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
2-phenylethyl 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
2-phenylethyl 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: | 4737-7412 |
Compound Name: | 2-phenylethyl 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: | 551.66 |
Molecular Formula: | C33 H29 N O5 S |
Smiles: | CC1=C(C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2cccs2)N1)C(=O)OCCc1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.2227 |
logD: | 1.6879 |
logSw: | -5.4854 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.338 |
InChI Key: | BTNGZFOOMNHOFP-UHFFFAOYSA-N |