methyl {[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate
methyl {[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D360-0527 |
| Compound Name: | methyl {[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 318.78 |
| Molecular Formula: | C15 H11 Cl N2 O2 S |
| Smiles: | COC(CSc1c(C#N)ccc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9241 |
| logD: | 3.9241 |
| logSw: | -4.451 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.349 |
| InChI Key: | PTUIOTQYRRMCRY-UHFFFAOYSA-N |