C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSC(F)F)C3)[C@H](C)[C@H]12
SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSC(F)F)C3)[C@H](C)[C@H]12

Molecular Processing

Molecular formula
C16H22F2N2O4S2
Molecular weight
408.49
Exact mass
408.0989
XLogP
1.56
TPSA
89.87
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
95.88

Supplementary Information

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