SMILES:
CCC(C(=O)OC(C)(C)C)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=OMolecular Processing
Molecular formula
C22H27ClN2O5S
Molecular weight
466.99
Exact mass
466.1329
XLogP
3.49
TPSA
92.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
119.32
Supplementary Information
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