3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0481 |
| Compound Name: | 3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C20 H18 Cl N5 O3 S2 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C)cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.72 |
| logD: | 2.06 |
| logSw: | -4.64 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.05 |
| InChI Key: | XEKJNEYBDCZALN-UHFFFAOYSA-N |