4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid
Chemical Structure Depiction of
4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid
4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8015-9051 |
| Compound Name: | 4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C21 H24 Br N O3 |
| Smiles: | CC(C(Cc1cc(C)cc(C)c1)C(Nc1ccc(C)c(c1)[Br])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2286 |
| logD: | 2.8194 |
| logSw: | -4.8602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.738 |
| InChI Key: | PFRJJVCAIFFXBR-UHFFFAOYSA-N |