SMILES:
COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OCMolecular Processing
Molecular formula
C21H22N4O5
Molecular weight
410.43
Exact mass
410.159
XLogP
4
TPSA
103.83
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
112.23
Supplementary Information
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