(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)
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(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)
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CAS No:
204206-08-6
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Formula:
C22H26FNO4S
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Chemical Name:
(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)
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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)
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CAS No:
(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
(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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(E)-[4-(Acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)
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