COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCSC)cn1
SMILES: COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCSC)cn1

Molecular Processing

Molecular formula
C34H32F9N3O2S
Molecular weight
717.7
Exact mass
717.2072
XLogP
10.28
TPSA
47.48
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
49
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
169.76

Supplementary Information

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