5-acetyl-6-methyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
5-acetyl-6-methyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4088-0092 |
| Compound Name: | 5-acetyl-6-methyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C20 H14 N2 O4 S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8581 |
| logD: | 2.8581 |
| logSw: | -3.4376 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.342 |
| InChI Key: | MMWMAZHJZUTAJB-UHFFFAOYSA-N |