3-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 5253-0659 |
Compound Name: | 3-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
Molecular Weight: | 484.37 |
Molecular Formula: | C22 H18 Br N3 O3 S |
Smiles: | Cc1cccc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 5.21 |
logD: | 4.94 |
logSw: | -6.09 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 127.11 |
InChI Key: | WCBXFWHFOXRCSH-UHFFFAOYSA-N |