3-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0200 |
| Compound Name: | 3-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 539.41 |
| Molecular Formula: | C21 H16 Cl2 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc(c1OCc1ccc(cc1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.64 |
| logD: | 2.29 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.65 |
| InChI Key: | ZKRAKRGSPXSVGF-UHFFFAOYSA-N |