名称: title compound
SMILES:
COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(Cn4ccnc4)cn3)c3nccnc23)c1FMolecular Processing
Molecular formula
C26H20ClFN6O3
Molecular weight
518.94
Exact mass
518.1269
XLogP
5
TPSA
104.05
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.115
Molar refractivity
136.57
Supplementary Information
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