Table 1. Physicochemical properties of the synthesized compoundsa.
| Compound | Mi Log P | TPSA | n-atoms | M.W. | nON | nOHNH | n-violations | n-rotb | Volume |
|---|---|---|---|---|---|---|---|---|---|
| 1 | 1.96 | 115.72 | 28 | 378.38 | 7 | 4 | 0 | 3 | 325.43 |
| 2 | 2.74 | 141.72 | 32 | 438.44 | 9 | 4 | 0 | 7 | 307.00 |
| 6 | 4.49 | 98.36 | 34 | 458.51 | 7 | 1 | 0 | 1 | 405.63 |
Abbreviations: Mi log P, logarithm of partition coefficient of compound between n-octanol and water; MV, molecular volume; MW, molecular weight; n atoms, number of atoms; n-ON acceptors, number of hydrogen bond acceptors; n-OHNH donors, number of hydrogen bonds donors; n rotb, number ofroutable bonds; n violations, number of violations; TPSA, topological polar surface area.