3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 4277-0935 |
Compound Name: | 3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 513.01 |
Molecular Formula: | C25 H25 Cl N4 O4 S |
Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2c(C)cccc2C)OC)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 6.01 |
logD: | 4.08 |
logSw: | -7.33 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 160.71 |
InChI Key: | CGBXZVZBNBWHNJ-UHFFFAOYSA-N |