3-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)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-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5141 |
| Compound Name: | 3-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C27 H29 Cl N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2cc(C)ccc2C(C)C)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.98 |
| logD: | 5.05 |
| logSw: | -7.88 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.2 |
| InChI Key: | XWYGJEXBVCGAED-UHFFFAOYSA-N |