CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
SMILES: CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1

Molecular Processing

Molecular formula
C25H30ClN3O6S
Molecular weight
536.05
Exact mass
535.1544
XLogP
2.31
TPSA
104.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
135.13

Supplementary Information

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