SMILES:
COc1ccc(C2Cc3cnc(Nc4ccc(OC)nc4)nc3N(c3ccccc3)C2=O)cc1Molecular Processing
Molecular formula
C26H23N5O3
Molecular weight
453.5
Exact mass
453.1801
XLogP
4.64
TPSA
89.47
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
129.13
Supplementary Information
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