Log P values and other calculated physicochemical parameters using SwissADME for the synthesized compounds.
| Compounds | Log P (mean ± % rsd) | H-bonds | PSA (Å2) |
|---|---|---|---|
| CA1 (MW = 346 g mol−1) | 2.25 ± 0.03 | H-donors = 1 | 90.02 |
| H-acceptors = 5 | |||
| CA2 (MW = 362.34 g mol−1) | 2.02 ± 0.08 | H-donors = 2 | 110.25 |
| H-acceptors = 6 | |||
| CA3 (MW = 405.36 g mol−1) | 1.90 ± 0.04 | H-donors = 1 | 135.84 |
| H-acceptors = 7 | |||
| CA4 (MW = 392.36 g mol−1) | 1.95 ± 0.03 | H-donors = 2 | 119.48 |
| H-acceptors = 7 | |||
| CA5 (MW = 418.40 g mol−1) | 2.65 ± 0.03 | H-donors = 2 | 119.48 |
| H-acceptors = 7 | |||
| CE1 (MW = 347.32 g mol−1) | 2.38 ± 0.05 | H-donors = 0 | 87.22 |
| H-acceptors = 6 | |||
| CE2 (MW = 363.32 g mol−1) | 2.65 ± 0.07 | H-donors = 1 | 107.45 |
| H-acceptors = 7 | |||
| CE3 (MW = 406.35 g mol−1) | 2.41 ± 0.06 | H-donors = 0 | 133.04 |
| H-acceptors = 8 | |||
| CE4 (MW = 393.35 g mol−1) | 2.61 ± 0.06 | H-donors = 1 | 116.68 |
| H-acceptors = 8 | |||
| CE5 (MW = 419.39 g mol−1) | 2.64 ± 0.10 | H-donors = 1 | 116.68 |
| H-acceptors = 8 | |||
| PA1 (MW = 370.40 g mol−1) | 4.21 ± 0.06 | H-donors = 1 | 69.04 |
| H-acceptors = 4 | |||
| PA2 (MW = 386.40 g mol−1) | NDa | H-donors = 2 | 89.27 |
| H-acceptors = 5 | |||
| PA3 (MW = 420.43 g mol−1) | 3.76 ± 0.25 | H-donors = 1 | 114.86 |
| H-acceptors = 6 | |||
| PA4 (MW = 416.43 g mol−1) | 4.26 ± 0.07 | H-donors = 2 | 98.50 |
| H-acceptors = 6 | |||
| PA5 (MW = 442.47 g mol−1) | 4.44 ± 0.08 | H-donors = 2 | 98.5 |
| H-acceptors = 6 | |||
| PE1 (MW = 371.39 g mol−1) | 5.19 ± 0.25 | H-donors = 0 | 66.24 |
| H-acceptors = 5 | |||
| PE2 (MW = 387.39 g mol−1) | 5.18 ± 0.29 | H-donors = 1 | 86.47 |
| H-acceptors = 6 | |||
| PE3 (MW = 430.41 g mol−1) | 4.29 ± 1.35 | H-donors = 0 | 112.06 |
| H-acceptors = 7 | |||
| PE4 (MW = 417.41 g mol−1) | 4.47 ± 0.16 | H-donors = 1 | 95.70 |
| H-acceptors = 7 | |||
| PE5 (MW = 443.45 g mol−1) | 4.92 ± 0.12 | H-donors = 1 | 95.70 |
| H-acceptors = 7 |
Not determined.