Название: 1,1-dimethylethyl N-((4-hydroxy-1,1-dimethyl-2-oxo-6-(trifluoromethyl)-naphthalen-3-yl)carbonyl)glycinate
SMILES:
CC(C)(C)OC(=O)CNC(=O)C1=C(O)c2cc(C(F)(F)F)ccc2C(C)(C)C1=OMolecular Processing
Molecular formula
C20H22F3NO5
Molecular weight
413.39
Exact mass
413.145
XLogP
3.29
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
97.88
Supplementary Information
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