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CBKinase1_010742,CBKinase1_023142,ST5205679, N-(2,5-dimethoxyphenyl)-2

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摘 要:CBKinase1_010742,CBKinase1_023142,ST5205679, N-(2,5-dimethoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4,InChI: InChI=1/C25H21NO6/c1-29-17-9-11-22(30-2)21(12-17
[Synonyms]
CBKinase1_010742
CBKinase1_023142
ST5205679

[Structure]
CBKinase1_010742,CBKinase1_023142,ST5205679, N-(2,5-dimethoxyphenyl)-2

[ Properties Computed from Structure]
Molecular Weight431.43734 [g/mol]
Molecular FormulaC25H21NO6
XLogP4.1
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass431.136887
MonoIsotopic Mass431.136887
Topological Polar Surface Area83.1
Heavy Atom Count32
Formal Charge0
Complexity688
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: N-(2,5-dimethoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4
InChI: InChI=1/C25H21NO6/c1-29-17-9-11-22(30-2)21(12-17)26-24(27)15-31-18-8-10-
19-20(16-6-4-3-5-7-16)14-25(28)32-23(19)13-18/h3-14H,15H2,1-2H3,(H,26,
27)/f/h26H

 
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