CCC(C)C(NC(=O)c1cccc(F)c1SSc1c(F)cccc1C(=O)NC(C(=O)O)C(C)CC)C(=O)O
SMILES: CCC(C)C(NC(=O)c1cccc(F)c1SSc1c(F)cccc1C(=O)NC(C(=O)O)C(C)CC)C(=O)O

Molecular Processing

Molecular formula
C26H30F2N2O6S2
Molecular weight
568.66
Exact mass
568.1513
XLogP
5.22
TPSA
132.8
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
38
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
141.2

Supplementary Information

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