2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0223 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C23 H19 N3 O S |
| Smiles: | C1CCc2c(C1)c(c1cccnc1)c(C#N)c(n2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2842 |
| logD: | 4.2829 |
| logSw: | -4.3574 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.685 |
| InChI Key: | TUZDVSCDMBVRJM-UHFFFAOYSA-N |