2-(benzylsulfanyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonitrile
2-(benzylsulfanyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8013-3327 |
| Compound Name: | 2-(benzylsulfanyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbonitrile |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C17 H11 F N2 O S |
| Smiles: | C(c1ccccc1)SC1=C(C#N)C(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7356 |
| logD: | 1.5892 |
| logSw: | -4.0929 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.597 |
| InChI Key: | YGPKXURVSDHDNY-UHFFFAOYSA-N |