3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0906 |
| Compound Name: | 3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C22 H21 Cl N4 O4 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c(C)n1c1cc(c(cc1OC)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.48 |
| logD: | 3.61 |
| logSw: | -5.21 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.63 |
| InChI Key: | LNUAPZVGDWGIMT-UHFFFAOYSA-N |