CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)C
Nombre: 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethoxycarbonyl-2-methyl-1-benzofuran-4-carboxylic acid
SMILES: CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)C

Molecular Processing

Molecular formula
C19H18N2O8
Molecular weight
402.36
Exact mass
402.1063
XLogP
3.22
TPSA
130.21
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
99.08

Supplementary Information

InChIKey: VSNZBWOXCVWAGX-UHFFFAOYSA-N
Sinónimos
SCHEMBL8656688VSNZBWOXCVWAGX-UHFFFAOYSA-N5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethoxycarbonyl-2-methyl-benzofuran-4-carboxylic acid5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-ethoxycarbonyl-2-methylbenzofuran-4-carboxylic acid5-(4,6-Dimethoxypyrimidin-2yl)oxy-3-ethoxycarbonyl-2-methylbenzofuran-4-carboxylic Acid
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