Table 3.
Physiochemical properties of the synthesized compounds 7a-e, 8a-c and 10a-k
| Entry | MWa | LogPb | HBDc | HBAd | TPSA (Å)e | RBf | Lipinski/Veber violation |
|---|---|---|---|---|---|---|---|
| 7a | 277.32 | 2.39 | 0 | 3 | 47.78 | 5 | 0 |
| 7b | 346.21 | 3.40 | 0 | 3 | 47.78 | 5 | 0 |
| 7c | 387.86 | 4.01 | 0 | 3 | 47.78 | 6 | 0 |
| 7d | 432.31 | 4.11 | 0 | 3 | 47.78 | 6 | 0 |
| 7e | 422.32 | 4.49 | 0 | 3 | 47.78 | 6 | 1 |
| 8a | 263.34 | 3.32 | 0 | 2 | 30.71 | 5 | 0 |
| 8b | 373.88 | 4.93 | 0 | 2 | 30.71 | 6 | 1 |
| 8c | 418.33 | 5.04 | 0 | 2 | 30.71 | 6 | 1 |
| 10a | 305.53 | 1.73 | 0 | 4 | 64.85 | 6 | 0 |
| 10b | 339.78 | 2.23 | 0 | 4 | 64.85 | 6 | 0 |
| 10c | 384.23 | 2.34 | 0 | 4 | 64.85 | 6 | 0 |
| 10d | 418.67 | 2.84 | 0 | 4 | 64.85 | 6 | 0 |
| 10e | 374.22 | 2.72 | 0 | 4 | 64.85 | 6 | 0 |
| 10f | 381.43 | 2.84 | 0 | 4 | 64.85 | 7 | 0 |
| 10 g | 399.42 | 3.22 | 0 | 5 | 64.85 | 7 | 0 |
| 10 h | 415.87 | 3.32 | 0 | 4 | 64.85 | 7 | 0 |
| 10i | 460.32 | 3.42 | 0 | 4 | 64.85 | 7 | 0 |
| 10j | 417.41 | 3.59 | 0 | 6 | 64.85 | 7 | 0 |
| 10 k | 450.32 | 3.79 | 0 | 4 | 64.85 | 7 | 0 |
| Lipinski/Veber’s Rules | ≤ 500 | ≤ 5 | ≤ 5 | ≤ 10 | ≤ 140 | ≤ 10 | ≤ 1 |
aMolecular weight (MW). b Logarithm of partition coefficient between n-octanol and water (LogP). c Number of hydrogen bond donors (HBD). d Number of hydrogen bond acceptors (HBA). e Topological polar surface area (TPSA). f Number of rotatable bonds (RB)