methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | G023-0798 |
Compound Name: | methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
Molecular Weight: | 359.83 |
Molecular Formula: | C18 H14 Cl N O3 S |
Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCc1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.4496 |
logD: | 3.4464 |
logSw: | -4.5094 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.715 |
InChI Key: | BHCBKBMXRNVVJF-UHFFFAOYSA-N |