3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0042 |
| Compound Name: | 3-{3-chloro-4-[(2-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C22 H18 Cl N3 O2 S |
| Smiles: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2nc(C)cs2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.74 |
| logD: | 4.69 |
| logSw: | -6.28 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.83 |
| InChI Key: | DWZONLZFLUVPJG-UHFFFAOYSA-N |