butyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
butyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3329-3807 |
| Compound Name: | butyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(C(C#N)C(N1)=O)c1ccccc1OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2143 |
| logD: | 3.1588 |
| logSw: | -3.3789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.963 |
| InChI Key: | QMEVGXAGIMYKNC-UHFFFAOYSA-N |