2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-8850 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C18 H16 N2 O S |
| Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9312 |
| logD: | 3.9312 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.439 |
| InChI Key: | BUDKHHRNOCRLQK-UHFFFAOYSA-N |