2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C370-5123 |
Compound Name: | 2-cyano-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
Molecular Weight: | 397.48 |
Molecular Formula: | C18 H15 N5 O2 S2 |
Smiles: | COc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nc(ns1)SC)=O |
Stereo: | ACHIRAL |
logP: | 4.31 |
logD: | 3.7 |
logSw: | -5.21 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 184.95 |
InChI Key: | WWMVTCJGCRGVGJ-UHFFFAOYSA-N |