Table 3.
Experimental and computer estimated pKa and logP values of compound 3e.
| Parameter | Experimental | ChemAxon | ACD/Percepta |
|---|---|---|---|
| pKa1 | 8.53 | 8.89 | 9.01 |
| pKa2 | 11.34 | 13.78 | 13.74 |
| logP | 3.990 | 4.43 | 5.00 |
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