CCCCN(CCCC)c1ccc(C=Cc2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(C)C(F)(F)F)s2)c(OCc2ccccc2)c1
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(OCc2ccccc2)c1

Molecular Processing

Molecular formula
C39H37F3N4O2S
Molecular weight
682.81
Exact mass
682.2589
XLogP
10.39
TPSA
93.07
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
49
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
187.96

Supplementary Information

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