2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | D360-7032 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 340.37 |
| Molecular Formula: | C18 H13 F N2 O2 S |
| Smiles: | C1CC(c2cc(C#N)c(nc2C1)SCC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4184 |
| logD: | 3.4184 |
| logSw: | -3.9915 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.687 |
| InChI Key: | LZTGIIYCYSMCES-UHFFFAOYSA-N |