3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0451 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3,5-dimethoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 544.56 |
| Molecular Formula: | C23 H20 N4 O8 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OCc1ccc2c(c1)OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 3.17 |
| logD: | 0.81 |
| logSw: | -4.01 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 269.18 |
| InChI Key: | QYYKQRWXHLPVIB-UHFFFAOYSA-N |