3-{3-bromo-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-bromo-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0660 |
| Compound Name: | 3-{3-bromo-4-[2-(4-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: | Cc1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.14 |
| logD: | 4.87 |
| logSw: | -6.08 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.82 |
| InChI Key: | MAFZQDKCUYFQIK-UHFFFAOYSA-N |