4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0098 |
| Compound Name: | 4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C23 H20 N2 O2 S |
| Smiles: | Cc1ccc(c2c3CCCCc3nc(c2C#N)SCC(c2ccccc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2898 |
| logD: | 5.2898 |
| logSw: | -5.3172 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.26 |
| InChI Key: | UASNJVUGFHWBKK-UHFFFAOYSA-N |