7-tert-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7-tert-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
7-tert-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-6128 |
| Compound Name: | 7-tert-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 464.62 |
| Molecular Formula: | C26 H25 F N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(c(C#N)c(nc2C1)SCC(c1ccc(cc1)F)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0422 |
| logD: | 7.0422 |
| logSw: | -5.7248 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.186 |
| InChI Key: | VFLNEHJFYDMHGS-QGZVFWFLSA-N |