2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0542 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.26 |
| logD: | 3.38 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.49 |
| InChI Key: | AOSQUFCWQHXJQE-UHFFFAOYSA-N |