SMILES:
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncn2)cc1Molecular Processing
Molecular formula
C21H20ClN3O3S
Molecular weight
429.93
Exact mass
429.0914
XLogP
4.46
TPSA
89.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
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
0.19
Molar refractivity
112.87
Supplementary Information
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