SMILES:
CC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc3cccc(C(=O)O)c3)C2c2ccccc2F)cc1Molecular Processing
Molecular formula
C33H35FN4O9S
Molecular weight
682.73
Exact mass
682.2109
XLogP
4.13
TPSA
188.28
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
48
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.303
Molar refractivity
172.38
Supplementary Information
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