Name: 5-((3-Benzyloxy-4-methoxyanilino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILES:
COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1OCc1ccccc1Molecular Processing
Molecular formula
C21H21NO6
Molecular weight
383.4
Exact mass
383.1369
XLogP
3.41
TPSA
83.09
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
101.74
Supplementary Information
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