SMILES:
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NN3CC(=O)NC3=O)n2)cc1Molecular Processing
Molecular formula
C22H24N8O4
Molecular weight
464.49
Exact mass
464.1921
XLogP
1.99
TPSA
142.63
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
124.34
Supplementary Information
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