2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4478-7303 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 525.53 |
| Molecular Formula: | C26 H25 Br N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(c(C#N)c(n2)SCC(c1ccc(cc1)[Br])=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8901 |
| logD: | 7.8901 |
| logSw: | -5.7268 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.186 |
| InChI Key: | VAMFFXIUZRYRGA-QGZVFWFLSA-N |