Nombre: 1-[4-(tetrahydropyran-2-yloxy)phenyl]-4-(4-trifluoromethoxyphenyl)piperazine
SMILES:
FC(F)(F)Oc1ccc(N2CCN(c3ccc(OC4CCCCO4)cc3)CC2)cc1Molecular Processing
Molecular formula
C22H25F3N2O3
Molecular weight
422.45
Exact mass
422.1817
XLogP
4.82
TPSA
34.17
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
108.21
Supplementary Information
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