3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxobutanoic acid
Chemical Structure Depiction of
3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxobutanoic acid
3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2063-0389 |
| Compound Name: | 3-[(3,5-dimethylphenyl)methyl]-4-(4-iodoanilino)-2-methyl-4-oxobutanoic acid |
| Molecular Weight: | 451.3 |
| Molecular Formula: | C20 H22 I N O3 |
| Smiles: | CC(C(Cc1cc(C)cc(C)c1)C(Nc1ccc(cc1)I)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3472 |
| logD: | 2.938 |
| logSw: | -5.1574 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.738 |
| InChI Key: | AXJMJFPGKOCYGM-UHFFFAOYSA-N |