Name: 2-[2-amino-3-[2-(trifluoromethyl)phenyl]propyl]isoindole-1,3-dione
SMILES:
C1=CC=C(C(=C1)CC(CN2C(=O)C3=CC=CC=C3C2=O)N)C(F)(F)FMolecular 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
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
84.93
Supplementary Information
InChIKey: FKSYYKCGMTUCKB-UHFFFAOYSA-N
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