Название: (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)piperazine
SMILES:
Cc1ccc(C[C@@H]2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1CMolecular Processing
Molecular formula
C22H22F6N2O
Molecular weight
444.42
Exact mass
444.1636
XLogP
5
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
103.76
Supplementary Information
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