2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-6133 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H21 F N2 O2 S |
| Smiles: | COc1ccc(cc1)c1c2CCCCc2nc(c1C#N)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8884 |
| logD: | 5.8884 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.711 |
| InChI Key: | YGXRVTFONVGLDQ-UHFFFAOYSA-N |