methyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3705-5821 |
| Compound Name: | methyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C22 H19 F2 N O3 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1ccc(c(c1)F)F)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5681 |
| logD: | 0.2223 |
| logSw: | -4.432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.842 |
| InChI Key: | WAYXGLQGJURRTP-UHFFFAOYSA-N |