SMILES:
Cl.Clc1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1Molecular Processing
Molecular formula
C22H20Cl2N2S
Molecular weight
415.39
Exact mass
414.0724
XLogP
6.44
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.136
Molar refractivity
118.93
Supplementary Information
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