CCOC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1F
SMILES: CCOC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1F

Molecular Processing

Molecular formula
C41H36Cl3FN2O5S
Molecular weight
794.17
Exact mass
792.1395
XLogP
9.84
TPSA
86.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
53
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.195
Molar refractivity
209.42

Supplementary Information

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