4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-3917 |
| Compound Name: | 4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C19 H14 N2 O3 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1701 |
| logD: | 3.1701 |
| logSw: | -3.353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.745 |
| InChI Key: | ZAFZDSFBJJYFSO-UHFFFAOYSA-N |