COC(=O)CCc1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
SMILES: COC(=O)CCc1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

Molecular Processing

Molecular formula
C42H39Cl3N2O6S2
Molecular weight
838.28
Exact mass
836.1315
XLogP
9.02
TPSA
111.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
55
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
0.214
Molar refractivity
220.4

Supplementary Information

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