2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0915 |
| Compound Name: | 2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c(C)n1c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.92 |
| logD: | 3.05 |
| logSw: | -4.96 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.13 |
| InChI Key: | UBNKSRIIWGDCMQ-UHFFFAOYSA-N |