2-cyano-3-[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0218 |
| Compound Name: | 2-cyano-3-[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCOc1ccccc1n1c(C)cc(/C=C(/C#N)C(Nc2ncc(C)s2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.72 |
| logD: | 4.23 |
| logSw: | -5.17 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.82 |
| InChI Key: | FQDHIRFPAVWJEV-UHFFFAOYSA-N |