benzyl [(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate
benzyl [(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8004-3934 |
| Compound Name: | benzyl [(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C17 H16 N2 O2 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6397 |
| logD: | 3.6397 |
| logSw: | -4.0896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.111 |
| InChI Key: | QHABOESTJZLCRZ-UHFFFAOYSA-N |