الاسم: 1-(3-(tert-Butoxycarbonylmethoxy)phenyl)-3-(3,4-dimethoxyphenyl)propan-1-one
SMILES:
COc1ccc(CCC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1OCMolecular Processing
Molecular formula
C23H28O6
Molecular weight
400.47
Exact mass
400.1886
XLogP
4.24
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
109.98
Supplementary Information
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