2-cyano-3-[1-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0479 |
| Compound Name: | 2-cyano-3-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 496.39 |
| Molecular Formula: | C19 H15 Cl2 N5 O3 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c(C)n1c1cc(ccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.74 |
| logD: | 2.07 |
| logSw: | -4.63 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.9 |
| InChI Key: | IISRHQCNBPMHSD-UHFFFAOYSA-N |