2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0485 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C20 H18 N6 O5 S2 |
| Smiles: | Cc1ccc(cc1n1c(C)cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)c1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.06 |
| logD: | 1.4 |
| logSw: | -4.16 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 281.83 |
| InChI Key: | NIYKGBIFRZTWRV-UHFFFAOYSA-N |