COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(ccn3C)c2)c2ncc(C(F)(F)F)cc2Cl)c(C)c1
SMILES: COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(ccn3C)c2)c2ncc(C(F)(F)F)cc2Cl)c(C)c1

Molecular Processing

Molecular formula
C25H21ClF3N3O4S
Molecular weight
551.97
Exact mass
551.0893
XLogP
5.74
TPSA
81.5
H-bond donors
0
H-bond acceptors
5
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
12
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
133.06

Supplementary Information

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