2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C356-0297 |
Compound Name: | 2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 455.56 |
Molecular Formula: | C21 H21 N5 O3 S2 |
Smiles: | Cc1cccc(C)c1n1c(C)cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c1C |
Stereo: | ACHIRAL |
logP: | 3.4 |
logD: | 1.74 |
logSw: | -4.13 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 201.57 |
InChI Key: | FPTJUPPWHVWDLY-UHFFFAOYSA-N |