2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | D360-5565 |
| Compound Name: | 2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C21 H16 N2 O3 S |
| Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9201 |
| logD: | 3.9201 |
| logSw: | -4.2247 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.36 |
| InChI Key: | LYXJJAFLJYKUBN-UHFFFAOYSA-N |