OCCSCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21
SMILES: OCCSCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

Molecular Processing

Molecular formula
C23H20ClF3N4O2S
Molecular weight
508.95
Exact mass
508.0948
XLogP
6.36
TPSA
72.2
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
128.19

Supplementary Information

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