3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(4-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~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-1178 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | Cc1csc(NC(C(=C/c2cc(c(c(c2)OC)OCc2ccc3c(c2)OCO3)OC)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 3.35 |
| logSw: | -5.26 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.39 |
| InChI Key: | XBUJXDDZFVPQEW-UHFFFAOYSA-N |