CCN[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C[C@H]1SC
SMILES: CCN[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C[C@H]1SC

Molecular Processing

Molecular formula
C20H23ClFN3O3S
Molecular weight
439.94
Exact mass
439.1133
XLogP
3.36
TPSA
74.57
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
115.39

Supplementary Information

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