octyl [(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
octyl [(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetate
octyl [(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8014-4790 |
| Compound Name: | octyl [(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C28 H30 N2 O2 S |
| Smiles: | CCCCCCCCOC(CSc1c(C#N)c(cc(c2ccccc2)n1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.6171 |
| logD: | 8.6171 |
| logSw: | -5.7484 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.952 |
| InChI Key: | HWWPQWVCSQAXCL-UHFFFAOYSA-N |