5-methyl-2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid
Chemical Structure Depiction of
5-methyl-2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid
5-methyl-2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid
Compound characteristics
| Compound ID: | 5604-0119 |
| Compound Name: | 5-methyl-2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CC(C)CCC(C(C)CC(Nc1ccn(c2ccccc2)n1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3634 |
| logD: | 1.0643 |
| logSw: | -3.6425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.604 |
| InChI Key: | VHLWRSHMNSBDCC-UHFFFAOYSA-N |