Name: 4-(2-{[4-bromo-3-methylphenyl]amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid
SMILES:
Cc1cc(Nc2nc3cc(Oc4ccnc(C(=O)O)c4)ccc3n2C)ccc1BrMolecular Processing
Molecular formula
C21H17BrN4O3
Molecular weight
453.3
Exact mass
452.0484
XLogP
5.27
TPSA
89.27
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
114.15
Supplementary Information
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Involved in 3 reactions→