CN(C)N1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)[C@@H]2CCC[C@@H]21.Cl
SMILES: CN(C)N1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)[C@@H]2CCC[C@@H]21.Cl

Molecular Processing

Molecular formula
C18H24ClN5O6S2
Molecular weight
506.01
Exact mass
505.0857
XLogP
1.29
TPSA
148.48
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
121.72

Supplementary Information

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