ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4530 |
| Compound Name: | ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 488.07 |
| Molecular Formula: | C25 H26 Cl N O3 S2 |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(CSc2ccc(cc2)[Cl])c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3067 |
| logD: | 2.2585 |
| logSw: | -6.085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.422 |
| InChI Key: | XKGPGYQMCZLKPW-DEOSSOPVSA-N |