Name: (2R)-4-benzyl-1-[3,5-bis(trifluoromethyl)-benzoyl]-2-(3-hydroxy-4-methylbenzyl)piperazine
SMILES:
Cc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OMolecular Processing
Molecular formula
C28H26F6N2O2
Molecular weight
536.52
Exact mass
536.1898
XLogP
6.31
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
129.54
Supplementary Information
Details werden geladen…
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