3-{3-bromo-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-bromo-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 5253-0208 |
Compound Name: | 3-{3-bromo-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
Molecular Weight: | 454.34 |
Molecular Formula: | C21 H16 Br N3 O2 S |
Smiles: | Cc1ccc(COc2ccc(/C=C(/C#N)C(Nc3nccs3)=O)cc2[Br])cc1 |
Stereo: | ACHIRAL |
logP: | 5.15 |
logD: | 4.88 |
logSw: | -6.08 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 113.5 |
InChI Key: | KYSLYMSMJRDQCZ-UHFFFAOYSA-N |