2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4388 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1456 |
| logD: | 3.1456 |
| logSw: | -3.1029 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.084 |
| InChI Key: | NCUYANKHFQPXFB-UHFFFAOYSA-N |