4-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1869 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C15 H16 N2 O3 S |
| Smiles: | COc1ccc(c(c1)C1CC(NC(=C1C#N)SC)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2718 |
| logD: | 2.1271 |
| logSw: | -3.1104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.361 |
| InChI Key: | QQTQWEXHIMBIPQ-SNVBAGLBSA-N |