SMILES:
COc1cc(Cc2cnc(NC(=O)Cc3ccccc3)nc2N)cc(OC)c1OCMolecular Processing
Molecular formula
C22H24N4O4
Molecular weight
408.46
Exact mass
408.1798
XLogP
2.86
TPSA
108.59
H-bond donors
2
H-bond acceptors
7
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
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
114.12
Supplementary Information
Récupération des détails…
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