SMILES:
COc1cc(N2CCN(c3nc(C(F)(F)F)nc(-c4cccc(S(N)(=O)=O)c4)c3-c3ccccc3)CC2)nc(OC)n1Molecular Processing
Molecular formula
C27H26F3N7O4S
Molecular weight
601.61
Exact mass
601.1719
XLogP
3.61
TPSA
136.66
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
148.84
Supplementary Information
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