2-cyano-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0051 |
| Compound Name: | 2-cyano-3-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | Cc1cc(C)cc(c1)n1c(C)cc(/C=C(/C#N)C(Nc2nccs2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.52 |
| logD: | 4.45 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.79 |
| InChI Key: | IAKFYQMJWXMCMO-UHFFFAOYSA-N |