4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid
4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8015-9050 |
| Compound Name: | 4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid |
| Molecular Weight: | 404.3 |
| Molecular Formula: | C20 H22 Br N O3 |
| Smiles: | Cc1cc(C)cc(CC(CC(O)=O)C(Nc2ccc(C)c(c2)[Br])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5024 |
| logD: | 1.8563 |
| logSw: | -4.1791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.714 |
| InChI Key: | HLOKLEFBNPCIPD-MRXNPFEDSA-N |