SMILES:
COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OCMolecular Processing
Molecular formula
C21H20BrN5O3
Molecular weight
470.33
Exact mass
469.075
XLogP
4.63
TPSA
82.8
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
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
0.19
Molar refractivity
118.04
Supplementary Information
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