3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-1929 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C29 H23 N3 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)ccc1OCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.27 |
| logD: | 6.26 |
| logSw: | -6.89 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.68 |
| InChI Key: | WHKKCYAQCDBSGY-UHFFFAOYSA-N |