2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C277-4681 |
Compound Name: | 2-cyano-3-[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
Molecular Weight: | 498.58 |
Molecular Formula: | C23 H22 N4 O5 S2 |
Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OCCOc1ccccc1)OC |
Stereo: | ACHIRAL |
logP: | 4.59 |
logD: | 3.92 |
logSw: | -5.23 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 211.27 |
InChI Key: | LLCIYMAPIXSPEQ-UHFFFAOYSA-N |