Name: 1-[1-(3-fluoro-4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexanol dihydrochloride
SMILES:
CN1CCN(CC(c2ccc(OCc3ccc(C(F)(F)F)cc3)c(F)c2)C2(O)CCCCC2)CC1.Cl.ClMolecular Processing
Molecular formula
C27H36Cl2F4N2O2
Molecular weight
567.5
Exact mass
566.209
XLogP
6.29
TPSA
35.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.556
Molar refractivity
141.38
Supplementary Information
Details werden geladen…
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