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(5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enyl-1,,

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摘 要: (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enyl-1,,3-thiazolidine-2,4-dione,Canonical SMILES: C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)F)SC1=O,Isomeric SMILES: C=CCN1C(=O)/C(=C/C2=CC=CN2C3=CC=C(C=C3)F)/SC1=O,InChI: InChI=1/C17H13FN2O2S
[Synonyms]

[Structure]
 (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enyl-1,,

[ Properties Computed from Structure]
Molecular Weight328.360723 [g/mol]
Molecular FormulaC17H13FN2O2S
XLogP3
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass328.068177
MonoIsotopic Mass328.068177
Topological Polar Surface Area42.3
Heavy Atom Count23
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enyl-1,
3-thiazolidine-2,4-dione
Canonical SMILES: C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)F)SC1=O
Isomeric SMILES: C=CCN1C(=O)/C(=C/C2=CC=CN2C3=CC=C(C=C3)F)/SC1=O
InChI: InChI=1/C17H13FN2O2S/c1-2-9-20-16(21)15(23-17(20)22)11-14-4-3-10-19(14)
13-7-5-12(18)6-8-13/h2-8,10-11H,1,9H2/b15-11-

 
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