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5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)

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摘 要: 5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl),methyl]imidazolidine-2,4-dione,Canonical SMILES: CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)F)NC2=O,InChI: InChI=1/C22H22FN3O2/c1-15-4-6-16(7-5-15)14-26-21(27)19(24-22(26)28)
[Synonyms]

[Structure]
 5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)

[ Properties Computed from Structure]
Molecular Weight379.427383 [g/mol]
Molecular FormulaC22H22FN3O2
XLogP4.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count2
Exact Mass379.169605
MonoIsotopic Mass379.169605
Topological Polar Surface Area52.7
Heavy Atom Count28
Formal Charge0
Complexity623
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: 5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)
methyl]imidazolidine-2,4-dione
Canonical SMILES: CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)F)NC2=O
InChI: InChI=1/C22H22FN3O2/c1-15-4-6-16(7-5-15)14-26-21(27)19(24-22(26)28)13-
17-8-9-20(18(23)12-17)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,
24,28)/f/h24H

 
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