SMILES:
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCSCC2)cc1Molecular Processing
Molecular formula
C22H20ClN3O3S2
Molecular weight
474.01
Exact mass
473.0635
XLogP
4.32
TPSA
79.37
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
125.91
Supplementary Information
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