SMILES:
CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(cnn3C3CC3)c2)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1Molecular Processing
Molecular formula
C26H21Cl2F3N4O4S
Molecular weight
613.45
Exact mass
612.0613
XLogP
6.66
TPSA
94.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
143.03
Supplementary Information
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