CCc1cn(C2CC(O)C(CNC(=O)C(C)S(=O)c3ccc(Cl)cc3Cl)O2)c(=O)[nH]c1=O
SMILES: CCc1cn(C2CC(O)C(CNC(=O)C(C)S(=O)c3ccc(Cl)cc3Cl)O2)c(=O)[nH]c1=O

Molecular Processing

Molecular formula
C20H23Cl2N3O6S
Molecular weight
504.39
Exact mass
503.0685
XLogP
1.37
TPSA
130.49
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
120.58

Supplementary Information

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