SMILES:
Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(CN)cc3)cc12Molecular Processing
Molecular formula
C22H22N4
Molecular weight
342.45
Exact mass
342.1844
XLogP
3.92
TPSA
77.82
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
107.93
Supplementary Information
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