methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4520 |
| Compound Name: | methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 482.04 |
| Molecular Formula: | C27 H28 Cl N O3 S |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(CSc2ccc(cc2)[Cl])c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5925 |
| logD: | 2.6967 |
| logSw: | -6.247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.824 |
| InChI Key: | YYZDNRMXHZUYBM-VWLOTQADSA-N |