methyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3192-2526 |
| Compound Name: | methyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 343.44 |
| Molecular Formula: | C19 H21 N O3 S |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)SC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4979 |
| logD: | -0.3979 |
| logSw: | -3.8668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.095 |
| InChI Key: | IBPFSPTWXZBHSO-KRWDZBQOSA-N |