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Oprea1_616004,ZINC00881420,ASN 03433162,N-(2,5-Diethoxy-4-propionylami

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摘 要:Oprea1_616004,ZINC00881420,ASN 03433162,N-(2,5-Diethoxy-4-propionylamino-phenyl)-2,6-dimethoxy-benzamide, N-[2,5-diethoxy-4-(propanoylamino)phenyl]-2,6-dimethoxybenzamide,Canonical SMILES: CCC(=O)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=C(C=CC=C2OC)OC)OCC,InChI:
[Synonyms]
Oprea1_616004
ZINC00881420
ASN 03433162
N-(2,5-Diethoxy-4-propionylamino-phenyl)-2,6-dimethoxy-benzamide

[Structure]
Oprea1_616004,ZINC00881420,ASN 03433162,N-(2,5-Diethoxy-4-propionylami

[ Properties Computed from Structure]
Molecular Weight416.46752 [g/mol]
Molecular FormulaC22H28N2O6
XLogP2.6
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count10
Tautomer Count4
Exact Mass416.194737
MonoIsotopic Mass416.194737
Topological Polar Surface Area95.1
Heavy Atom Count30
Formal Charge0
Complexity534
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-diethoxy-4-(propanoylamino)phenyl]-2,6-dimethoxybenzamide
Canonical SMILES: CCC(=O)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=C(C=CC=C2OC)OC)OCC
InChI: InChI=1/C22H28N2O6/c1-6-20(25)23-14-12-19(30-8-3)15(13-18(14)29-7-2)24-
22(26)21-16(27-4)10-9-11-17(21)28-5/h9-13H,6-8H2,1-5H3,(H,23,25)(H,24,
26)/f/h23-24H

 
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