4-(3-bromo-4-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
Chemical Structure Depiction of
4-(3-bromo-4-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
4-(3-bromo-4-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
Compound characteristics
| Compound ID: | 8016-4406 |
| Compound Name: | 4-(3-bromo-4-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid |
| Molecular Weight: | 390.28 |
| Molecular Formula: | C19 H20 Br N O3 |
| Smiles: | CC(C(CC(Nc1ccc(C)c(c1)[Br])=O)C(O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8817 |
| logD: | 1.2583 |
| logSw: | -4.0233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.524 |
| InChI Key: | NSJSFJIQHVKZSR-UHFFFAOYSA-N |