CC(=O)N(CC1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(=O)OC(C)Cl
SMILES: CC(=O)N(CC1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(=O)OC(C)Cl

Molecular Processing

Molecular formula
C20H24ClFN2O7S
Molecular weight
490.94
Exact mass
490.0977
XLogP
3.01
TPSA
110.29
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
113.83

Supplementary Information

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