Name: 1-((5-(benzyloxy)-6-methylpyridin-2-yl)methyl)-3-bromo-4-nitro-1H-indazole
SMILES:
Cc1nc(Cn2nc(Br)c3c([N+](=O)[O-])cccc32)ccc1OCc1ccccc1Molecular Processing
Molecular formula
C21H17BrN4O3
Molecular weight
453.3
Exact mass
452.0484
XLogP
5.04
TPSA
83.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
112.94
Supplementary Information
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