SMILES:
COc1cc(COc2ccc3nc(NC(=O)OCC(O)CO)cn3n2)cc(OC)c1OCMolecular Processing
Molecular formula
C20H24N4O8
Molecular weight
448.43
Exact mass
448.1594
XLogP
1.24
TPSA
145.9
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
111.48
Supplementary Information
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