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ZINC03397458,T5359972, [2-[(3-acetylphenyl)amino]-2-oxoethyl] 2,6-dime

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摘 要:ZINC03397458,T5359972, [2-[(3-acetylphenyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate,Canonical SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC=C2OC)OC,InChI: InChI=1/C19H19NO6/c1-12(21)13-6-4-7-14(10-13)20-17(22)11-26-19(23)18-15,(24-2)8-5-9-16(18)2
[Synonyms]
ZINC03397458
T5359972

[Structure]
ZINC03397458,T5359972, [2-[(3-acetylphenyl)amino]-2-oxoethyl] 2,6-dime

[ Properties Computed from Structure]
Molecular Weight357.35726 [g/mol]
Molecular FormulaC19H19NO6
XLogP2.4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count8
Tautomer Count4
Exact Mass357.121237
MonoIsotopic Mass357.121237
Topological Polar Surface Area90.9
Heavy Atom Count26
Formal Charge0
Complexity496
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-[(3-acetylphenyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
Canonical SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC=C2OC)OC
InChI: InChI=1/C19H19NO6/c1-12(21)13-6-4-7-14(10-13)20-17(22)11-26-19(23)18-15
(24-2)8-5-9-16(18)25-3/h4-10H,11H2,1-3H3,(H,20,22)/f/h20H

 
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