SMILES:
COC(=O)N(Cc1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OCMolecular Processing
Molecular formula
C29H30F6N2O5S
Molecular weight
632.62
Exact mass
632.178
XLogP
7.66
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
43
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
149.08
Supplementary Information
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