SMILES:
CN(C)Cc1cc(N2C3CCC2COC3)nc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)n1Molecular Processing
Molecular formula
C31H40N8O2
Molecular weight
556.72
Exact mass
556.3274
XLogP
3.97
TPSA
89.1
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
41
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
163.76
Supplementary Information
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