Name: (2S)-2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILES:
C[C@H]1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1.ClMolecular Processing
Molecular formula
C12H16ClF3N2O2S
Molecular weight
344.79
Exact mass
344.0573
XLogP
2.11
TPSA
49.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
74.92
Supplementary Information
InChIKey: VBRZNIOGQGHCIM-FVGYRXGTSA-N
Synonyme
(2S)-2-Methyl-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine hydrochlorideSCHEMBL308298AKOS026514044
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