Table 2.
Basic physicochemical properties of compounds. Log P value is an average of 5 prediction algorithms (iLOGP, XLOGP, WLOGP, MLOGP, SILICOS-IT). TPSA—Topological Polar Surface Area.
| Compound | Molecular Weight [g/mol] | LogP | pKa (acid) | pKa (base) | TPSA [Å2] | Molar Refractivity [m3/mol] | H-bond Acceptors | H-bond Donors |
|---|---|---|---|---|---|---|---|---|
| 3a | 432.52 | 4.70 | 13.19 | 8.71 | 66.91 | 133.80 | 3 | 2 |
| 3b | 446.54 | 5.03 | 13.52 | 8.90 | 66.91 | 138.61 | 3 | 2 |
| 3c | 460.57 | 5.31 | 13.65 | 8.97 | 66.91 | 143.42 | 3 | 2 |
| 3d | 474.60 | 5.47 | 13.71 | 9.00 | 66.91 | 148.23 | 3 | 2 |
| 3e | 488.62 | 5.93 | 13.73 | 9.01 | 66.91 | 153.03 | 3 | 2 |
| 3f | 502.65 | 6.17 | 13.73 | 9.02 | 66.91 | 157.84 | 3 | 2 |
| 3g | 516.68 | 6.60 | 13.74 | 9.02 | 66.91 | 162.65 | 3 | 2 |
| 3h | 530.70 | 6.96 | 13.74 | 9.02 | 66.91 | 167.45 | 3 | 2 |