SMILES:
c1cn(CCCc2ccc(OCc3coc(-c4ccc(-c5nnn[nH]5)cc4)n3)cc2)cn1Molecular Processing
Molecular formula
C23H21N7O2
Molecular weight
427.47
Exact mass
427.1757
XLogP
3.93
TPSA
107.54
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
116.43
Supplementary Information
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