SMILES:
COC(COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1Cl)OCMolecular Processing
Molecular formula
C19H20Cl2N2O3S
Molecular weight
427.35
Exact mass
426.0572
XLogP
5.79
TPSA
53.47
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
110.26
Supplementary Information
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