2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-8851 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 387.3 |
| Molecular Formula: | C18 H15 Br N2 O S |
| Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8702 |
| logD: | 4.8702 |
| logSw: | -4.9313 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.439 |
| InChI Key: | PUCMZWUMJJMCOD-UHFFFAOYSA-N |