SMILES:
N#Cc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)cc1Molecular Processing
Molecular formula
C22H20N6O
Molecular weight
384.44
Exact mass
384.1699
XLogP
2.94
TPSA
78.17
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.16
Supplementary Information
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