SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(OS(=O)(=O)C(F)(F)F)CCC12)c1nc(N)sc1ClMolecular Processing
Molecular formula
C28H23ClF3N5O8S2
Molecular weight
714.1
Exact mass
713.0629
XLogP
3.63
TPSA
179.58
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
160.79
Supplementary Information
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