3-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1017 |
| Compound Name: | 3-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 519.41 |
| Molecular Formula: | C23 H20 Cl2 N4 O4 S |
| Smiles: | Cc1cc(ccc1[Cl])OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.78 |
| logD: | 3.83 |
| logSw: | -6.79 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 170.81 |
| InChI Key: | HMGKKCZZSPHRKC-UHFFFAOYSA-N |