Nombre: tert-butyl ethyl 3-fluoro-4-(hexadecylamino)benzoylmalonate
SMILES:
CCCCCCCCCCCCCCCCNc1ccc(C(=O)C(C(=O)OCC)C(=O)OC(C)(C)C)cc1FMolecular Processing
Molecular formula
C32H52FNO5
Molecular weight
549.77
Exact mass
549.383
XLogP
8.42
TPSA
81.7
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
21
Heavy atoms
39
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.719
Molar refractivity
155.5
Supplementary Information
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