2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C354-0710 |
| Compound Name: | 2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)c(C)n1c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.35 |
| logD: | 4.11 |
| logSw: | -5.44 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 187.3 |
| InChI Key: | JLXBIVWZVWVKMH-UHFFFAOYSA-N |