SMILES:
COC1(c2cc(F)cc(Sc3ccc4c(c3)CCC(=S)N4C)c2)CCOCC1Molecular Processing
Molecular formula
C22H24FNO2S2
Molecular weight
417.57
Exact mass
417.1232
XLogP
5.34
TPSA
21.7
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
115.03
Supplementary Information
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