3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-{3-chloro-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0044 |
| Compound Name: | 3-{3-chloro-4-[(4-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: | Cc1ccc(COc2ccc(/C=C(/C#N)C(Nc3nc(C)cs3)=O)cc2[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.58 |
| logD: | 4.53 |
| logSw: | -6.22 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.84 |
| InChI Key: | FDCAWVGEMBZMNR-UHFFFAOYSA-N |