2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-3966 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 453.36 |
| Molecular Formula: | C22 H17 Br N2 O2 S |
| Smiles: | C1CCc2c(C1)c(c(C#N)c(n2)SCC(c1ccc(cc1)[Br])=O)c1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 5.6533 |
| logD: | 5.6533 |
| logSw: | -5.8137 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.745 |
| InChI Key: | MZGLHRVRJMLCTR-UHFFFAOYSA-N |