SMILES:
CC(Oc1cc(Cl)nc(SCc2cccc(F)c2F)n1)C1COC(C)(C)O1Molecular Processing
Molecular formula
C18H19ClF2N2O3S
Molecular weight
416.88
Exact mass
416.0773
XLogP
4.62
TPSA
53.47
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
97.96
Supplementary Information
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