SMILES:
COc1cc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc(OC)c1.ClMolecular Processing
Molecular formula
C24H25ClN2O2S
Molecular weight
441
Exact mass
440.1325
XLogP
5.8
TPSA
42.85
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
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
0.208
Molar refractivity
127.03
Supplementary Information
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