Name: tert-butyl4-(2-{[4-bromo-3-flurophenyl]amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylate
SMILES:
Cn1c(Nc2ccc(Br)c(F)c2)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21Molecular Processing
Molecular formula
C24H22BrFN4O3
Molecular weight
513.37
Exact mass
512.0859
XLogP
6.36
TPSA
78.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
127.58
Supplementary Information
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Involved in 5 reactions→