3-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0931 |
| Compound Name: | 3-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C25 H25 Cl N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc(c1OCCOc1cc(C)cc(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.66 |
| logD: | 3.71 |
| logSw: | -6.7 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.19 |
| InChI Key: | PXZUGASVYJFWNX-UHFFFAOYSA-N |