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

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

Compounds MWa LogPb HBDc HBAd TPSA (A2) e n-RBf 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
  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)