3-{3-chloro-4-[2-(2,6-dimethylphenoxy)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-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0726 |
| Compound Name: | 3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C24 H23 Cl N4 O4 S |
| Smiles: | Cc1cccc(C)c1OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 3.29 |
| logSw: | -6.44 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.73 |
| InChI Key: | CKTUPHJWNLGXNH-UHFFFAOYSA-N |