3-{3-chloro-4-[2-(3,4-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-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5133 |
| Compound Name: | 3-{3-chloro-4-[2-(3,4-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])OCCOc2ccc(C)c(C)c2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.3 |
| logD: | 4.37 |
| logSw: | -7.53 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 162.7 |
| InChI Key: | CMRKHTZWCBKCGZ-UHFFFAOYSA-N |