Cl.Clc1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c(Cl)c1
SMILES: Cl.Clc1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c(Cl)c1

Molecular Processing

Molecular formula
C22H19Cl3N2S
Molecular weight
449.83
Exact mass
448.0335
XLogP
7.09
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.136
Molar refractivity
123.94

Supplementary Information

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