3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0452 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chlorophenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 518.95 |
| Molecular Formula: | C21 H15 Cl N4 O6 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccc3c(c2)OCO3)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.72 |
| logD: | 1.37 |
| logSw: | -4.63 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.54 |
| InChI Key: | INSVCNWFVXYVTK-UHFFFAOYSA-N |