SMILES:
Cc1cnc(Nc2cn[nH]c2)nc1CCc1ccccc1C1(C(N)=O)CC1Molecular Processing
Molecular formula
C20H22N6O
Molecular weight
362.44
Exact mass
362.1855
XLogP
2.55
TPSA
109.58
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
102.6
Supplementary Information
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