OC(c1ncc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(N3CCOCC3)c2)s1)(C1CC1)C1CC1
SMILES: OC(c1ncc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(N3CCOCC3)c2)s1)(C1CC1)C1CC1

Molecular Processing

Molecular formula
C25H26F3N5O2S
Molecular weight
517.58
Exact mass
517.1759
XLogP
5.21
TPSA
83.4
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
130.24

Supplementary Information

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