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Home > Encyclopedia > 2-acetylsulfanyl-1-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]e thanone

2-acetylsulfanyl-1-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]e thanone

2-acetylsulfanyl-1-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]e thanone structure

2-acetylsulfanyl-1-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]e thanone 

structure
  • CAS No:

    161364-88-1

  • Formula:

    C16H21NO4S

  • Chemical Name:

    2-acetylsulfanyl-1-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]e thanone

  • Synonyms:

    Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-1-pyrrolidinyl)-2-oxoethyl) ester, (S)-;(S)-(-)-2-((2-Methoxyphenoxy)methyl)-3-(2-(acetylthio)acetyl)pyrrolidine;CTK4D0818;DTXSID40167126;LS-65725;Ethanethioic acid,S-[2-[2-[(2-methoxyphenoxy)methyl]-1-pyrrolidinyl]-2-oxoethyl] ester, (S)-(9CI)

2-acetylsulfanyl-1-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]e thanone Basic Attributes

323.407

323.119

DTXSID40167126

Characteristics

81.1

2.4

1.204±0.06 g/cm3(Predicted)

470.9±25.0 °C(Predicted)

Computed Properties

Molecular Weight:323.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:323.11912932
Monoisotopic Mass:323.11912932
Topological Polar Surface Area:81.1
Heavy Atom Count:22
Complexity:390
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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