COC(=O)CSc1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F
SMILES: COC(=O)CSc1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

Molecular Processing

Molecular formula
C22H15F3N2O4S
Molecular weight
460.43
Exact mass
460.0705
XLogP
5.01
TPSA
81.44
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
108.86

Supplementary Information

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