Cl.Cl.c1ccc2sc(Cc3ccc(CN4C[C@@H]5C[C@H]4CN5)cc3)nc2c1
SMILES: Cl.Cl.c1ccc2sc(Cc3ccc(CN4C[C@@H]5C[C@H]4CN5)cc3)nc2c1

Molecular Processing

Molecular formula
C20H23Cl2N3S
Molecular weight
408.4
Exact mass
407.099
XLogP
4.28
TPSA
28.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.35
Molar refractivity
113.97

Supplementary Information

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