2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0454 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | Cc1cccc(c1)n1c(C)cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.18 |
| logD: | 1.52 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.16 |
| InChI Key: | HBJDTKNECQAORN-UHFFFAOYSA-N |