3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0659 |
| Compound Name: | 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C19 H16 Cl N5 O S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)c(C)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.85 |
| logD: | 4.61 |
| logSw: | -5.8 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.72 |
| InChI Key: | CKHTWLHSSSYIJI-UHFFFAOYSA-N |