CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(OCC(=O)O)cc1C
SMILES: CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(OCC(=O)O)cc1C

Molecular Processing

Molecular formula
C22H20F3NO4S
Molecular weight
451.47
Exact mass
451.1065
XLogP
5.74
TPSA
68.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.57

Supplementary Information

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