Name: 2-{[4-bromo-3-fluropheylamino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid
SMILES:
Cn1c(Nc2ccc(Br)c(F)c2)nc2cc(OC3(C(=O)O)C=CC=CN3)ccc21Molecular Processing
Molecular formula
C20H16BrFN4O3
Molecular weight
459.28
Exact mass
458.039
XLogP
4.05
TPSA
88.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
110.51
Supplementary Information
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Involved in 8 reactions→