SMILES:
O=C(N1CCc2ccc(Cl)c(NCc3ccc4ncsc4c3)c2CC1)C(F)(F)FMolecular Processing
Molecular formula
C20H17ClF3N3OS
Molecular weight
439.89
Exact mass
439.0733
XLogP
5.05
TPSA
45.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
108.44
Supplementary Information
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