2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0108 |
| Compound Name: | 2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 539.41 |
| Molecular Formula: | C21 H16 Cl2 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.34 |
| logD: | 1.98 |
| logSw: | -5.32 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.33 |
| InChI Key: | XKHNEXQCLYMAEN-UHFFFAOYSA-N |