SMILES:
COc1cc(-n2c(C(C)(C)c3ccc(F)c(C#N)c3)cnc2S)ccc1FMolecular Processing
Molecular formula
C20H17F2N3OS
Molecular weight
385.44
Exact mass
385.106
XLogP
4.65
TPSA
50.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
100.57
Supplementary Information
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