SMILES:
COCC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCCN(C(C)C)C(C)C)cc3)cc2s1Molecular Processing
Molecular formula
C24H32N4O5S2
Molecular weight
520.68
Exact mass
520.1814
XLogP
4.18
TPSA
109.86
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
139.85
Supplementary Information
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