Design, synthesis and evaluation of novel 1,2,4-triazole derivatives as promising anticancer agents

BMC Chemistry

Table 3 Physiochemical properties of the synthesized compounds 7a-e, 8a-c and 10a-k

Entry	MW^a	LogP^b	HBD^c	HBA^d	TPSA (Å)^e	RB^f	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)

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