2-cyano-3-(2,5-dimethyl-1-phenyl-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-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0288 |
| Compound Name: | 2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C19 H17 N5 O S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.14 |
| logD: | 3.89 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.7 |
| InChI Key: | YSOCHZIWOCEYGN-UHFFFAOYSA-N |