SMILES:
CC1(C)CN(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1OMolecular Processing
Molecular formula
C20H20Cl2F3N3O4S
Molecular weight
526.36
Exact mass
525.0504
XLogP
4.44
TPSA
99.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
116.82
Supplementary Information
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