CCOC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
SMILES: CCOC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

Molecular Processing

Molecular formula
C42H39Cl3N2O4S
Molecular weight
774.21
Exact mass
772.1696
XLogP
10.25
TPSA
77.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
52
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
212.29

Supplementary Information

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