Name: 2-{(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propyl}-1H-isoindole-1,3(2H)-dione
SMILES:
N[C@@H](Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C18H15F3N2O2
Molecular weight
348.32
Exact mass
348.1086
XLogP
2.87
TPSA
63.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
84.93
Supplementary Information
Details werden geladen…
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