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2-(2-fluorophenyl)-4-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl],methy

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摘 要: 2-(2-fluorophenyl)-4-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl],methylidene]-1,3-oxazol-5-one,Canonical SMILES: COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)OC(=N4)C5=CC=CC=C5F,InChI: InChI=1/C27H21FN2O4/c1-32-19-10-12-20(13-11-19)33-15-14-30-17-18
[Synonyms]

[Structure]
 2-(2-fluorophenyl)-4-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl],methy

[ Properties Computed from Structure]
Molecular Weight456.465043 [g/mol]
Molecular FormulaC27H21FN2O4
XLogP6
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count7
Exact Mass456.148535
MonoIsotopic Mass456.148535
Topological Polar Surface Area62.1
Heavy Atom Count34
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-fluorophenyl)-4-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]
methylidene]-1,3-oxazol-5-one
Canonical SMILES: COC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)OC(=N4)C5=CC=CC=C5F
InChI: InChI=1/C27H21FN2O4/c1-32-19-10-12-20(13-11-19)33-15-14-30-17-18(21-6-3-
5-9-25(21)30)16-24-27(31)34-26(29-24)22-7-2-4-8-23(22)28/h2-13,16-17H,
14-15H2,1H3

 
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