SMILES:
O=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccc(SC(F)(F)F)cc4)cc3C2=O)C(=O)N1Molecular Processing
Molecular formula
C22H16F3N3O5S
Molecular weight
491.45
Exact mass
491.0763
XLogP
2.63
TPSA
112.65
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
112.64
Supplementary Information
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