5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | D360-7021 |
| Compound Name: | 5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | C1CC(c2cc(C#N)c(nc2C1)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2843 |
| logD: | 3.2843 |
| logSw: | -3.6986 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.687 |
| InChI Key: | PNRZXGFIZANKGO-UHFFFAOYSA-N |