4-(3-chloro-2-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
Chemical Structure Depiction of
4-(3-chloro-2-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
4-(3-chloro-2-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
Compound characteristics
| Compound ID: | Y010-1366 |
| Compound Name: | 4-(3-chloro-2-methylanilino)-4-oxo-2-(1-phenylethyl)butanoic acid |
| Molecular Weight: | 345.82 |
| Molecular Formula: | C19 H20 Cl N O3 |
| Smiles: | CC(C(CC(Nc1cccc(c1C)[Cl])=O)C(O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.597 |
| logD: | 0.9735 |
| logSw: | -3.4769 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.826 |
| InChI Key: | ZZMZJZDPUQHIJM-UHFFFAOYSA-N |