3-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1273 |
| Compound Name: | 3-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 533.43 |
| Molecular Formula: | C24 H22 Cl2 N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccccc2[Cl])OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.99 |
| logD: | 4.07 |
| logSw: | -7.32 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.08 |
| InChI Key: | KLHNEPOOQNFAMP-UHFFFAOYSA-N |