CC1=CCC(C(=O)N(c2cc(-c3ccc(F)cc3)sc2C(=O)O)C(C)C)CC1
SMILES: CC1=CCC(C(=O)N(c2cc(-c3ccc(F)cc3)sc2C(=O)O)C(C)C)CC1

Molecular Processing

Molecular formula
C22H24FNO3S
Molecular weight
401.5
Exact mass
401.1461
XLogP
5.74
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
110.39

Supplementary Information

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