SMILES:
CC(C(=O)N1CCCC(N)C1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=OMolecular Processing
Molecular formula
C22H27ClN4O4S
Molecular weight
479
Exact mass
478.1442
XLogP
1.71
TPSA
112.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
122.65
Supplementary Information
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