6-tert-butyl-4-(4-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
6-tert-butyl-4-(4-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
6-tert-butyl-4-(4-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0338 |
| Compound Name: | 6-tert-butyl-4-(4-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 476.66 |
| Molecular Formula: | C27 H28 N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(c1ccc(cc1)OC)c(C#N)c(n2)SCC(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3609 |
| logD: | 7.3609 |
| logSw: | -5.704 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.729 |
| InChI Key: | PQZLFIZRGDRPAD-GOSISDBHSA-N |