7-tert-butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7-tert-butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
7-tert-butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 7954-1796 |
| Compound Name: | 7-tert-butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 492.68 |
| Molecular Formula: | C28 H29 F N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(c(C#N)c(nc2C1)SCCCC(c1ccc(cc1)F)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5918 |
| logD: | 7.5918 |
| logSw: | -5.6788 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.186 |
| InChI Key: | YPSRQZDAHRVFCD-LJQANCHMSA-N |