SMILES:
CCN1CCCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)n[nH]3)cn2)CC1Molecular Processing
Molecular formula
C25H33N7O3
Molecular weight
479.59
Exact mass
479.2645
XLogP
2.79
TPSA
108.5
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
134.47
Supplementary Information
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