Name: title compound
SMILES:
CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(C(N)=O)nn(CCOC)c1CCMolecular Processing
Molecular formula
C23H35N7O6S
Molecular weight
537.64
Exact mass
537.237
XLogP
0.56
TPSA
161.98
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
136.23
Supplementary Information
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