ethyl [(3,5-dicyano-4,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3,5-dicyano-4,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
ethyl [(3,5-dicyano-4,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8014-3780 |
| Compound Name: | ethyl [(3,5-dicyano-4,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C13 H15 N3 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C)(C)C(C#N)C(N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4897 |
| logD: | 1.4679 |
| logSw: | -2.2482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.73 |
| InChI Key: | WQVQFGAGAQJFMM-QMMMGPOBSA-N |