SMILES:
Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCO)CC2)c(N2CCOCC2)n1Molecular Processing
Molecular formula
C22H36N6O4
Molecular weight
448.57
Exact mass
448.2798
XLogP
-0.39
TPSA
93.64
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
123.63
Supplementary Information
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