COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(cnn3C)c2)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
SMILES: COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(cnn3C)c2)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

Molecular Processing

Molecular formula
C23H17Cl2F3N4O4S
Molecular weight
573.38
Exact mass
572.03
XLogP
5.48
TPSA
94.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
131.12

Supplementary Information

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