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Oprea1_159027 N-[4-(furan-2-carbonylamino)-2,,5-dimethoxyphenyl]-N'-(3

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摘 要:Oprea1_159027 N-[4-(furan-2-carbonylamino)-2,,5-dimethoxyphenyl]-N'-(3-methylphenyl)butanediamide,Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CO3)OC,InChI: InChI=1/C24H25N3O6/c1-15-6-4-7-16(12-15)25-22(28)9-10-23(29)26
[Synonyms]
Oprea1_159027
[Structure]
Oprea1_159027 N-[4-(furan-2-carbonylamino)-2,,5-dimethoxyphenyl]-N'-(3

[ Properties Computed from Structure]
Molecular Weight451.4718 [g/mol]
Molecular FormulaC24H25N3O6
XLogP1.5
H-Bond Donor3
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count8
Exact Mass451.174336
MonoIsotopic Mass451.174336
Topological Polar Surface Area119
Heavy Atom Count33
Formal Charge0
Complexity675
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-(furan-2-carbonylamino)-2,
5-dimethoxyphenyl]-N'-(3-methylphenyl)butanediamide
Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CO3)OC
InChI: InChI=1/C24H25N3O6/c1-15-6-4-7-16(12-15)25-22(28)9-10-23(29)26-17-13-21
(32-3)18(14-20(17)31-2)27-24(30)19-8-5-11-33-19/h4-8,11-14H,9-10H2,
1-3H3,(H,25,28)(H,26,29)(H,27,30)/f/h25-27H

 
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