SMILES:
COc1ccccc1-c1cccc(-n2cnc(C(=O)c3nccn3C)c2)c1Molecular Processing
Molecular formula
C21H18N4O2
Molecular weight
358.4
Exact mass
358.143
XLogP
3.51
TPSA
61.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
102.19
Supplementary Information
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