3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 4277-1438 |
Compound Name: | 3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 543.04 |
Molecular Formula: | C26 H27 Cl N4 O5 S |
Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccccc2OC)OC)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.8 |
logD: | 3.87 |
logSw: | -6.87 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 166.83 |
InChI Key: | IBHJDCCDAVWOIT-UHFFFAOYSA-N |