2-(5-chloro-2,4-dimethoxyanilino)-4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
2-(5-chloro-2,4-dimethoxyanilino)-4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid
2-(5-chloro-2,4-dimethoxyanilino)-4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | C301-0171 |
| Compound Name: | 2-(5-chloro-2,4-dimethoxyanilino)-4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 389.83 |
| Molecular Formula: | C20 H20 Cl N O5 |
| Smiles: | Cc1ccc(cc1C)C(\C=C(/C(O)=O)Nc1cc(c(cc1OC)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5832 |
| logD: | 4.5832 |
| logSw: | -4.4541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.202 |
| InChI Key: | RQMDVFVUNFNRRT-UHFFFAOYSA-N |