5-cyano-4-[2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Chemical Structure Depiction of
5-cyano-4-[2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
5-cyano-4-[2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8013-5949 |
| Compound Name: | 5-cyano-4-[2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid |
| Molecular Weight: | 440.28 |
| Molecular Formula: | C22 H15 Cl2 N3 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C(C#N)=C(/C=C/c2ccc(cc2[Cl])[Cl])C(C(O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2688 |
| logD: | -4.2435 |
| logSw: | -5.6037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.512 |
| InChI Key: | DOBHQQMGJVDBDX-UHFFFAOYSA-N |