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Ezetimibe Impurity 4

CAT: 1506-KL-02-01005-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1506-KL-02-01005-01Size:25 mg
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CAS Number
189028-93-1
Specifications
Impurity

Chemical Information

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

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CAS Number189028-93-1
PubChem CID11187377
IUPAC Name1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
Molecular FormulaC20H18FNO4
Molecular Weight355.4
XLogP2.9
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity524
SMILES
C1[C@@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
InChIKey
XXSSRSVXDNUAQX-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
CAS: 189028-93-1
CID: 11187377
Formula: C20H18FNO4
MW: 355.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight355.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass355.12198622
Monoisotopic Mass355.12198622
Topological Polar Surface Area63.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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