이름: tert-butyl4-(2-{[4-chloro-3-(trifluromethyl)phenyl]amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylate
SMILES:
Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21Molecular Processing
Molecular formula
C25H22ClF3N4O3
Molecular weight
518.92
Exact mass
518.1333
XLogP
7.13
TPSA
78.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
129.93
Supplementary Information
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