SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(=O)C1Molecular Processing
Molecular formula
C23H20N4O2
Molecular weight
384.44
Exact mass
384.1586
XLogP
4.77
TPSA
83.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
111.79
Supplementary Information
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