4-(4-chloroanilino)-2-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-(4-chloroanilino)-2-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid
4-(4-chloroanilino)-2-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 3578-0905 |
| Compound Name: | 4-(4-chloroanilino)-2-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid |
| Molecular Weight: | 345.82 |
| Molecular Formula: | C19 H20 Cl N O3 |
| Smiles: | Cc1cc(C)cc(CC(CC(Nc2ccc(cc2)[Cl])=O)C(O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.694 |
| logD: | 2.0398 |
| logSw: | -4.5489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.524 |
| InChI Key: | YPRCUPKLIUBNEQ-OAHLLOKOSA-N |