2-cyano-3-[1-(2,4-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-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0456 |
| Compound Name: | 2-cyano-3-[1-(2,4-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: | Cc1ccc(c(C)c1)n1c(C)cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.79 |
| logD: | 2.13 |
| logSw: | -4.65 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.17 |
| InChI Key: | ZDZSLOBDQAEQHA-UHFFFAOYSA-N |