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STK122641,ZINC00317687,BAS 03216243,4-(3,5-Dimethoxy-benzoyl)-piperazi

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摘 要:STK122641,ZINC00317687,BAS 03216243,4-(3,5-Dimethoxy-benzoyl)-piperazine-1-carbaldehyde, 4-(3,5-dimethoxybenzoyl)piperazine-1-carbaldehyde,Canonical SMILES: COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C=O)OC,InChI: InChI=1/C14H18N2O4/c1-19-12-7-11(8-13(9-12)20-2)
[Synonyms]
STK122641
ZINC00317687
BAS 03216243
4-(3,5-Dimethoxy-benzoyl)-piperazine-1-carbaldehyde

[Structure]
STK122641,ZINC00317687,BAS 03216243,4-(3,5-Dimethoxy-benzoyl)-piperazi

[ Properties Computed from Structure]
Molecular Weight278.30372 [g/mol]
Molecular FormulaC14H18N2O4
XLogP0.6
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass278.126657
MonoIsotopic Mass278.126657
Topological Polar Surface Area59.1
Heavy Atom Count20
Formal Charge0
Complexity330
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: 4-(3,5-dimethoxybenzoyl)piperazine-1-carbaldehyde
Canonical SMILES: COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C=O)OC
InChI: InChI=1/C14H18N2O4/c1-19-12-7-11(8-13(9-12)20-2)14(18)16-5-3-15(10-17)4-
6-16/h7-10H,3-6H2,1-2H3

 
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