SMILES:
Nc1ccc(-c2nc(NC3CCOCC3)cc(N3C4CCC3COC4)n2)cc1Molecular Processing
Molecular formula
C21H27N5O2
Molecular weight
381.48
Exact mass
381.2165
XLogP
2.68
TPSA
85.53
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
109.45
Supplementary Information
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