2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 0655-0212 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 436.93 |
| Molecular Formula: | C24 H18 Cl F N2 O S |
| Smiles: | C1CCc2c(C1)c(c1ccc(cc1)F)c(C#N)c(n2)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5007 |
| logD: | 6.5007 |
| logSw: | -6.6423 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.167 |
| InChI Key: | JQLDIHIIGNBHBX-UHFFFAOYSA-N |