3-{3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 5253-0099 |
Compound Name: | 3-{3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
Molecular Weight: | 439.92 |
Molecular Formula: | C22 H18 Cl N3 O3 S |
Smiles: | Cc1ccccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Cl] |
Stereo: | ACHIRAL |
logP: | 5.17 |
logD: | 4.89 |
logSw: | -6.1 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 119.28 |
InChI Key: | VPURMHJVTWSOSS-UHFFFAOYSA-N |