3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0950 |
| Compound Name: | 3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | Cc1cc(ccc1[Cl])OCCn1cccc1/C=C(/C#N)C(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.29 |
| logD: | 4.45 |
| logSw: | -6.14 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.07 |
| InChI Key: | OYMFXZYCIIGKAJ-UHFFFAOYSA-N |