SMILES:
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2c(C)cn3C2CCCC2)c(=O)[nH]1Molecular Processing
Molecular formula
C32H38N6O2
Molecular weight
538.7
Exact mass
538.3056
XLogP
4.77
TPSA
95.05
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
160.2
Supplementary Information
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