Efficient synthesis of 1,3-naphtoxazine derivatives using reusable magnetic catalyst (GO-Fe3O4–Ti(IV)): anticonvulsant evaluation and computational studies

Table 4 Physicochemical properties of the 2-(aryl or alkyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine derivatives

Compounds	MW^a	LogP^b	HBD^c	HBA^d	TPSA (A²) ^e	n-RB^f	Lipinski violation
S₁	340.21	4.37	0	1	12.47	1	1
S₂	275.34	3.72	0	2	12.47	2	0
S₃	267.37	3.72	0	2	12.47	1	0
S₄	289.37	3.95	0	2	12.47	3	0
S₅	261.32	3.75	0	1	12.47	1	0
S₆	269.38	3.72	0	2	12.47	5	0
S₇	275.34	3.99	0	1	12.47	1	1
S₈	309.79	4.21	0	2	12.47	2	1
S₉	265.31	2.41	0	3	25.61	2	0
S₁₀	289.37	4.21	0	1	12.47	2	1
S₁₁	291.34	3.37	0	2	21.7	2	0
*Diazepam*	284.74	2.67	0	2	32.67	1	0
Rule of Lipinski	≤ 500	≤ 5	≤ 5	≤ 10	≤ 140	≤ 10	≤ 1

^a Molecular 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 (nRB)

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