2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C482-0927 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C21 H20 N4 O3 |
| Smiles: | Cc1cccc(c1)OCCn1cccc1/C=C(/C#N)C(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5 |
| logD: | 3.66 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.73 |
| InChI Key: | GBRFFTOBXMOFDU-UHFFFAOYSA-N |