2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0953 |
| Compound Name: | 2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccc(c(C)c1)OCCn1cccc1/C=C(/C#N)C(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.07 |
| logD: | 4.23 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.27 |
| InChI Key: | FAZVMCXRPXCMBW-UHFFFAOYSA-N |