SMILES:
CN1C(=O)CCC2(C)c3ccc(Sc4nc5c(F)cccc5s4)cc3CCC12Molecular Processing
Molecular formula
C22H21FN2OS2
Molecular weight
412.56
Exact mass
412.1079
XLogP
5.41
TPSA
33.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
111.61
Supplementary Information
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