SMILES:
CCOC(=O)c1ccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1.ClMolecular Processing
Molecular formula
C25H25ClN2O2S
Molecular weight
453.01
Exact mass
452.1325
XLogP
5.96
TPSA
50.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
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
0.2
Molar refractivity
129.88
Supplementary Information
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