Table 2.
Results of physicochemical properties for 3-(N-phenylmethyliden)amino-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidine 10(a-i) and 10-(N-phenylmethyliden)amino-11-imino-11H-naphto[1′,2′:5,6]pyrano[2,3-d]pyrimidine 10(j-l) issued from SwissADME server (http://www.swissadme.ch/) [27].
| Prod. | Structure | MW (g/mol) | Log P | Log S | tPSA (Å2) | HBA | HBD | RB | Fract. Csp3 | LV |
|---|---|---|---|---|---|---|---|---|---|---|
| 10a |
|
416.52 | 4.07 | −4.93 | 69.74 | 4 | 1 | 6 | 0.29 | 0 |
| 10b |
|
389.45 | 3.28 | −4.55 | 86.73 | 5 | 2 | 5 | 0.23 | 0 |
| 10c |
|
373.45 | 3.76 | −4.70 | 66.50 | 4 | 1 | 5 | 0.23 | 0 |
| 10d |
|
345.40 | 3.29 | −4.22 | 66.50 | 4 | 1 | 3 | 0.15 | 0 |
| 10e |
|
318.33 | 2.66 | −3.86 | 83.49 | 5 | 2 | 2 | 0.06 | 0 |
| 10f |
|
320.33 | 2.98 | −4.01 | 63.26 | 4 | 1 | 2 | 0.06 | 0 |
| 10g |
|
372.46 | 3.97 | −5.06 | 42.65 | 3 | 0 | 4 | 0.22 | 0 |
| 10h |
|
348.36 | 2.86 | −3.93 | 92.72 | 6 | 2 | 3 | 0.11 | 0 |
| 10i |
|
332.36 | 3.17 | −4.07 | 72.49 | 5 | 1 | 3 | 0.11 | 0 |
| 10j |
|
395.46 | 3.66 | −5.35 | 66.50 | 4 | 1 | 3 | 0.12 | 0 |
| 10k |
|
389.45 | 3.28 | −4.55 | 86.73 | 5 | 2 | 5 | 0.23 | 0 |
| 10l |
|
352.39 | 3.32 | −5.14 | 63.26 | 4 | 1 | 2 | 0.05 | 0 |
MW, molecular weight; Log P, water/octanol partition coefficient; Log S, water solubility; tPSA, topological polar surface area; HBA, hydrogen bond acceptor; HBD, hydrogen bond donor; RB, rotatable bonds; LV, number of Lipinski’s rule of 5 violations.