이름: title compound
SMILES:
c1ccc(-c2ncc(-c3cnc(CCc4cccnc4)[nH]3)cn2)cc1Molecular Processing
Molecular formula
C20H17N5
Molecular weight
327.39
Exact mass
327.1484
XLogP
3.71
TPSA
67.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
96.69
Supplementary Information
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