Table 1.

Properties of compounds 2–6 calculated with the Chemicalize.org program.59 The Lipinski's and Gelovani's parameters.

Compd	Molecular formula	Number of atoms	MW	log P	HBD[a]	HBA[b]	Lipinski score[c]	MR[d] [cm3 mol−1]	TPSA[e] [Å2]
2 a	C20H27N3O4	54	373.453	1.43	2	5	4	103.62	89.55
2 b	C21H27N3O4	55	385.464	2.38	2	5	4	109.44	89.55
2 c	C21H29N3O4	57	387.480	1.88	2	5	4	108.22	89.55
2 d	C22H31N3O4	60	401.507	2.32	2	5	4	112.82	89.55
2 e	C24H27N3O4	58	421.497	3.32	2	5	4	120.65	89.55
3 a	C19H25N3O4	51	359.426	0.80	3	6	4	98.85	100.55
3 b	C19H23N3O4	49	357.410	0.90	3	6	4	99.92	100.55
3 c	C20H27N3O4	54	373.453	1.29	3	6	4	103.45	100.55
3 d	C21H29N3O4	57	387.480	1.74	3	6	4	108.05	100.55
3 e	C23H25N3O4	55	407.470	2.23	3	6	4	115.89	100.55
4 a	C26H32N4O4	66	464.566	2.58	3	6	4	131.53	101.58
4 b	C26H30N4O4	64	462.515	2.94	3	6	4	132.60	101.58
4 c	C27H34N4O4	69	478.580	3.02	3	6	4	136.13	101.58
4 d	C28H36N4O4	72	492.620	3.47	3	6	4	140.74	101.58
4 e	C30H32N4O4	70	512.600[b]	4.27	3	6	3[f]	148.57	101.58
5 a	C19H26N4O4	53	374.441	0.48	4	6	4	102.44	112.58
5 b	C20H28N4O4	56	388.468	0.92	4	6	4	107.04	112.58
5 c	C21H30N4O4	59	402.495	1.37	4	6	4	111.64	112.58
5 d	C23H26N4O4	57	422.485	2.16	4	6	4	119.47	112.58
6 a	C20H28N4O4	56	388.468	0.85	3	6	4	106.92	101.58
6 b	C20H26N4O4	54	386.452	1.21	3	6	4	107.99	101.58
6 c	C21H30N4O4	59	402.495	1.30	3	6	4	111.52	101.58
6 d	C22H32N4O4	62	416.522	1.74	3	6	4	116.12	101.58
6 e	C24H28N4O4	60	436.512	2.54	3	6	4	123.95	101.58

[a] H‐bond donor. [b] H‐bond acceptor. [c] Out of four. [d] Molar refractivity. [e] Topological polar surface area. [f] Minimal aberrations of the rules.