SMILES:
Cc1cncc(Oc2cccc(NC(=O)N3CCc4c(cnc5[nH]nc(Br)c45)C3)c2)n1Molecular Processing
Molecular formula
C21H18BrN7O2
Molecular weight
480.33
Exact mass
479.0705
XLogP
4.2
TPSA
108.92
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
118.01
Supplementary Information
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