3-[1-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0476 |
| Compound Name: | 3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 506.94 |
| Molecular Formula: | C19 H15 Cl N6 O5 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c(C)n1c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.97 |
| logD: | 1.3 |
| logSw: | -4.03 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 286.66 |
| InChI Key: | LFALNIOLZDJXNK-UHFFFAOYSA-N |