SMILES:
Cc1cccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1.ClMolecular Processing
Molecular formula
C23H23ClN2S
Molecular weight
394.97
Exact mass
394.127
XLogP
6.09
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
4
Covalent units
2
Fraction Csp3
0.174
Molar refractivity
118.66
Supplementary Information
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