methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1376 |
| Compound Name: | methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 377.82 |
| Molecular Formula: | C18 H13 Cl F N O3 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6905 |
| logD: | 3.6873 |
| logSw: | -4.8869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.715 |
| InChI Key: | SNWGFAVDXBLWEW-UHFFFAOYSA-N |