COC(=O)c1ccc(CN2CCCC(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)c3cc(C)c(C(F)(F)F)c(C)c32)cc1
SMILES: COC(=O)c1ccc(CN2CCCC(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)c3cc(C)c(C(F)(F)F)c(C)c32)cc1

Molecular Processing

Molecular formula
C33H31F9N6O2
Molecular weight
714.63
Exact mass
714.2365
XLogP
8.22
TPSA
76.38
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
50
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
163.15

Supplementary Information

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