3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-1508 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C24 H20 Cl N3 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2ncc(C)s2)=O)cc(c1OCc1ccc2c(c1)OCO2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.13 |
| logD: | 5.08 |
| logSw: | -7.27 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.73 |
| InChI Key: | RUEZCRRYAUNTDV-UHFFFAOYSA-N |