SMILES:
CN(C)C(=O)c1cnn(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Molecular Processing
Molecular formula
C21H24ClN5O3S
Molecular weight
461.98
Exact mass
461.1288
XLogP
3.72
TPSA
97.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
120.34
Supplementary Information
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