SMILES:
Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCN(c4ncccn4)CC3)ccc3c2C(=O)c2ccccc2C3=O)cc1Molecular Processing
Molecular formula
C32H28N6O4
Molecular weight
560.61
Exact mass
560.2172
XLogP
3.57
TPSA
124.6
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
158.2
Supplementary Information
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