NC(=O)[C@H]1CCCC[C@H]1N(Cc1ccc(OC(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
SMILES: NC(=O)[C@H]1CCCC[C@H]1N(Cc1ccc(OC(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C21H21Cl2F3N2O4S
Molecular weight
525.38
Exact mass
524.0551
XLogP
5.13
TPSA
89.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
117.26

Supplementary Information

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