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Home > Encyclopedia > (E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)

(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)

(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers) structure

(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers) 

structure
  • CAS No:

    204206-08-6

  • Formula:

    C22H26FNO4S

  • Chemical Name:

    (E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)

  • Synonyms:

    SCHEMBL6574357;ethyl (2E)-2-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]acetate;DTXSID20433018;(2E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic acid ethyl ester;(2E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic acid ethyl ester(mixture of diastereomers)

Description

Brown Semi-solid

(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers) Basic Attributes

419.5095432

419.157

DTXSID20433018

Characteristics

89

2.8

(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers) Use and Manufacturing

Intermediate in the preparation of prasurgrel metabolites.

Computed Properties

Molecular Weight:419.5
XLogP3:2.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:419.15665765
Monoisotopic Mass:419.15665765
Topological Polar Surface Area:89
Heavy Atom Count:29
Complexity:663
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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