4-anilino-2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxobutanoic acid
Chemical Structure Depiction of
4-anilino-2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxobutanoic acid
4-anilino-2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y010-1395F |
| Compound Name: | 4-anilino-2-[(3,5-dimethylphenyl)methyl]-3-methyl-4-oxobutanoic acid |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C20 H23 N O3 |
| Smiles: | CC(C(Cc1cc(C)cc(C)c1)C(O)=O)C(Nc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9598 |
| logD: | 1.3363 |
| logSw: | -4.014 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.738 |
| InChI Key: | ANBMXTJXOBLPPU-UHFFFAOYSA-N |