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Home > Encyclopedia > 2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate

2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate

2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate structure

2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate 

structure
  • CAS No:

    135497-86-8

  • Formula:

    C34H41FN2O4S

  • Chemical Name:

    2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate

  • Synonyms:

    Flurbiprofen N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-2-(2-hydroxyethylthio)acetamide; FP-Ppa;

2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate Basic Attributes

592.76400

592.27710713

Characteristics

96.66000

7.22200

1.179g/cm3

743ºC

401.5ºC

1.577

8.76E-22mmHg at 25°C

Drug Information

flurbiprofen N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-2-(2-hydroxyethylthio)acetamide

Computed Properties

Molecular Weight:592.8
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:16
Exact Mass:592.27710713
Monoisotopic Mass:592.27710713
Topological Polar Surface Area:93.2
Heavy Atom Count:42
Complexity:792
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-(3-fluoro-4-phenylphenyl)propanoate

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