2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0658 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C20 H19 N5 O S2 |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 4.44 |
| logSw: | -5.37 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.66 |
| InChI Key: | AOJOIBJWQKMLRH-UHFFFAOYSA-N |