3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-5033 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)ccc1OCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.72 |
| logD: | 4.05 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.14 |
| InChI Key: | MXBCWSPMCYHGBW-UHFFFAOYSA-N |