3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-1179 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | Cc1cnc(NC(C(=C/c2cc(c(c(c2)OC)OCc2ccc3c(c2)OCO3)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 3.88 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.02 |
| InChI Key: | ZEEGSSWDWNOQGJ-UHFFFAOYSA-N |