SMILES:
Nc1ccc(-c2nc(N3C4CCC3COC4)c(Cl)c(N3C4CCC3COC4)n2)cc1Molecular Processing
Molecular formula
C22H26ClN5O2
Molecular weight
427.94
Exact mass
427.1775
XLogP
3.11
TPSA
76.74
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
117.11
Supplementary Information
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