3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0478 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C22 H17 N3 O5 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nccs2)=O)ccc1OCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.87 |
| logD: | 3.6 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.48 |
| InChI Key: | HAGPYCWWMIIVNT-UHFFFAOYSA-N |