SMILES:
Cc1cc(Br)cnc1CCCCNc1ncc(Cc2cccnc2)cc1OMolecular Processing
Molecular formula
C21H23BrN4O
Molecular weight
427.35
Exact mass
426.1055
XLogP
4.67
TPSA
70.93
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
111.05
Supplementary Information
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Involved in 4 reactions→