SMILES:
Cn1ccnc1COc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1Molecular Processing
Molecular formula
C31H29N7O3
Molecular weight
547.62
Exact mass
547.2332
XLogP
6.49
TPSA
108.98
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
41
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
157.16
Supplementary Information
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