2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C482-0959 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)OCCCn1cccc1/C=C(/C#N)C(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | 3.93 |
| logSw: | -5.42 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.72 |
| InChI Key: | ZCPPMFQXLXPJJD-UHFFFAOYSA-N |