SMILES:
NC1=NC(CF)(c2cccc(NC(=O)c3ccc(Br)cn3)c2)COC1Molecular Processing
Molecular formula
C17H16BrFN4O2
Molecular weight
407.24
Exact mass
406.0441
XLogP
2.65
TPSA
89.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
96.43
Supplementary Information
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