3-{3-bromo-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-bromo-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0207 |
| Compound Name: | 3-{3-bromo-4-[(3-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: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3nccs3)=O)cc2[Br])c1 |
| Stereo: | ACHIRAL |
| logP: | 5.43 |
| logD: | 5.16 |
| logSw: | -6.28 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.58 |
| InChI Key: | JKWNXAIQXWHBCZ-UHFFFAOYSA-N |