3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0653 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | Cc1cnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccc3c(c2)OCO3)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8 |
| logD: | 3.74 |
| logSw: | -5.66 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.89 |
| InChI Key: | RLZQYKLHENYSHL-UHFFFAOYSA-N |