2-(2-cyanoanilino)-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(2-cyanoanilino)-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
2-(2-cyanoanilino)-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8008-7030 |
| Compound Name: | 2-(2-cyanoanilino)-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C17 H16 N4 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCC(=O)OCC(Nc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9393 |
| logD: | 1.9382 |
| logSw: | -2.8944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.915 |
| InChI Key: | PRBRTUGMBNKGGA-UHFFFAOYSA-N |