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ZINC03443836 [2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl] 2-ethoxyaceta

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摘 要:ZINC03443836 [2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl] 2-ethoxyacetate,Canonical SMILES: CCOCC(=O)OCC(=O)NC1=C(C=C(C=C1)OC)OC,InChI: InChI=1/C14H19NO6/c1-4-20-9-14(17)21-8-13(16)15-11-6-5-10(18-2)7-12(11),19-3/h5-7H,4,8-9H2,1-3H3,(H,15,16)/f/h15H,M
[Synonyms]
ZINC03443836
[Structure]
ZINC03443836 [2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl] 2-ethoxyaceta

[ Properties Computed from Structure]
Molecular Weight297.30376 [g/mol]
Molecular FormulaC14H19NO6
XLogP0.7
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count2
Exact Mass297.121237
MonoIsotopic Mass297.121237
Topological Polar Surface Area83.1
Heavy Atom Count21
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl] 2-ethoxyacetate
Canonical SMILES: CCOCC(=O)OCC(=O)NC1=C(C=C(C=C1)OC)OC
InChI: InChI=1/C14H19NO6/c1-4-20-9-14(17)21-8-13(16)15-11-6-5-10(18-2)7-12(11)
19-3/h5-7H,4,8-9H2,1-3H3,(H,15,16)/f/h15H

 
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