SMILES:
CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)cc1Molecular Processing
Molecular formula
C22H26N4O6S
Molecular weight
474.54
Exact mass
474.1573
XLogP
1.8
TPSA
113.3
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
123.8
Supplementary Information
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