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Oprea1_280801,ASN 03433064,N-[4-(2-Chloro-benzoylamino)-2,5-diethoxy-p

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摘 要:Oprea1_280801,ASN 03433064,N-[4-(2-Chloro-benzoylamino)-2,5-diethoxy-phenyl]-2,6-dimethoxy-benzamide, N-[4-[(2-chlorobenzoyl)amino]-2,5-diethoxyphenyl]-2,6-dimethoxybenzamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2Cl)OCC)NC(=O)C3=C(C=CC=C
[Synonyms]
Oprea1_280801
ASN 03433064
N-[4-(2-Chloro-benzoylamino)-2,5-diethoxy-phenyl]-2,6-dimethoxy-benzamide

[Structure]
Oprea1_280801,ASN 03433064,N-[4-(2-Chloro-benzoylamino)-2,5-diethoxy-p

[ Properties Computed from Structure]
Molecular Weight498.95538 [g/mol]
Molecular FormulaC26H27ClN2O6
XLogP4.7
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count10
Tautomer Count4
Exact Mass498.155764
MonoIsotopic Mass498.155764
Topological Polar Surface Area95.1
Heavy Atom Count35
Formal Charge0
Complexity670
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-[4-[(2-chlorobenzoyl)amino]-2,5-diethoxyphenyl]-2,6-dimethoxybenzamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2Cl)OCC)NC(=O)C3=C(C=CC=C3OC)OC
InChI: InChI=1/C26H27ClN2O6/c1-5-34-22-15-19(29-26(31)24-20(32-3)12-9-13-21(24)
33-4)23(35-6-2)14-18(22)28-25(30)16-10-7-8-11-17(16)27/h7-15H,5-6H2,
1-4H3,(H,28,30)(H,29,31)/f/h28-29H

 
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