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(2-methoxyphenyl),4-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,,5-dioxo

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摘 要: (2-methoxyphenyl),4-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,,5-dioxopyrrol-3-yl]amino]benzoate,Canonical SMILES: COC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)Cl,InChI: InChI=1/C24H15Cl2FN2O5/c1-33-18-4-2-3-5-19(18)34-24(32)1
[Synonyms]

[Structure]
 (2-methoxyphenyl),4-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,,5-dioxo

[ Properties Computed from Structure]
Molecular Weight501.290703 [g/mol]
Molecular FormulaC24H15Cl2FN2O5
XLogP5.5
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count4
Exact Mass500.034205
MonoIsotopic Mass500.034205
Topological Polar Surface Area84.9
Heavy Atom Count34
Formal Charge0
Complexity832
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: (2-methoxyphenyl)
4-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,
5-dioxopyrrol-3-yl]amino]benzoate
Canonical SMILES: COC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)Cl
InChI: InChI=1/C24H15Cl2FN2O5/c1-33-18-4-2-3-5-19(18)34-24(32)13-6-8-14(9-7-13)
28-21-20(26)22(30)29(23(21)31)15-10-11-17(27)16(25)12-15/h2-12,28H,1H3

 
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