2-[(4-chlorophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxobutanoic acid
2-[(4-chlorophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y010-1447 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-4-(2,5-dimethylanilino)-4-oxobutanoic acid |
| Molecular Weight: | 345.82 |
| Molecular Formula: | C19 H20 Cl N O3 |
| Smiles: | Cc1ccc(C)c(c1)NC(CC(Cc1ccc(cc1)[Cl])C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5343 |
| logD: | 0.8801 |
| logSw: | -3.4007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.826 |
| InChI Key: | CGIKGPLGAGWVRV-OAHLLOKOSA-N |