methyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | K813-0116 |
Compound Name: | methyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 471.57 |
Molecular Formula: | C28 H25 N O4 S |
Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1cccc(c1)Oc1ccccc1)C(=O)OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.7574 |
logD: | 1.4116 |
logSw: | -5.5843 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.59 |
InChI Key: | DMLKDQFVGGTHFZ-UHFFFAOYSA-N |