SMILES:
CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(-c5ccc(F)cc5)cc4)cc4ccnn34)cc2)cc1Molecular Processing
Molecular formula
C38H35FN6O3
Molecular weight
642.74
Exact mass
642.2755
XLogP
8.27
TPSA
109.65
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
48
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
185.88
Supplementary Information
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