CSc1nccc(-c2cc3cn(CCCOC4CCCCO4)nc3nc2-c2cccc(C(F)(F)F)c2)n1
SMILES: CSc1nccc(-c2cc3cn(CCCOC4CCCCO4)nc3nc2-c2cccc(C(F)(F)F)c2)n1

Molecular Processing

Molecular formula
C26H26F3N5O2S
Molecular weight
529.59
Exact mass
529.1759
XLogP
6.23
TPSA
74.95
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
134.93

Supplementary Information

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