SMILES:
CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2CCC(CS(C)(=O)=O)CC2)c1Molecular Processing
Molecular formula
C28H38F2N2O4S
Molecular weight
536.69
Exact mass
536.252
XLogP
3.56
TPSA
95.5
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
140.68
Supplementary Information
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