3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0939 |
| Compound Name: | 3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl}-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/c2ccc(c(c2)OCC)OCCOc2ccc(c(C)c2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.79 |
| logD: | 3.86 |
| logSw: | -6.54 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.73 |
| InChI Key: | MOJORNCPUGUMFO-UHFFFAOYSA-N |