COC(=O)c1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
SMILES: COC(=O)c1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

Molecular Processing

Molecular formula
C40H35Cl3N2O6S2
Molecular weight
810.22
Exact mass
808.1002
XLogP
8.7
TPSA
111.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
53
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.175
Molar refractivity
211.4

Supplementary Information

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