CN(c1ccc(F)cc1)C(C(=O)O[C@H]1C[N+]2(CC(=O)c3cccs3)CCC1CC2)c1ccccc1.[Cl-]
SMILES: CN(c1ccc(F)cc1)C(C(=O)O[C@H]1C[N+]2(CC(=O)c3cccs3)CCC1CC2)c1ccccc1.[Cl-]

Molecular Processing

Molecular formula
C28H30ClFN2O3S
Molecular weight
529.08
Exact mass
528.165
XLogP
2.1
TPSA
46.61
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.357
Molar refractivity
134.97

Supplementary Information

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