SMILES:
CCCCN(CCCC)c1ccc(C=Cc2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(C)C(F)(F)F)s2)c(OC)c1Molecular Processing
Molecular formula
C33H33F3N4O2S
Molecular weight
606.71
Exact mass
606.2276
XLogP
8.82
TPSA
93.07
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
43
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
163.74
Supplementary Information
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