Name: (1S)-1-(7-fluoro-2-(2-(methylsulfonyl)phenyl)-quinolin-3-yl)ethanamine
SMILES:
C[C@H](N)c1cc2ccc(F)cc2nc1-c1ccccc1S(C)(=O)=OMolecular Processing
Molecular formula
C18H17FN2O2S
Molecular weight
344.41
Exact mass
344.0995
XLogP
3.46
TPSA
73.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
92.85
Supplementary Information
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