3-{1-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{1-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{1-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0188 |
| Compound Name: | 3-{1-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | CCC(C)c1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2nccs2)=O)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.48 |
| logD: | 5.42 |
| logSw: | -6.19 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.68 |
| InChI Key: | KMLOHEKCOOVHBO-HNNXBMFYSA-N |