(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone
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![(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/479f1656579a4e78aa70819f95002ae1.png "(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone")
(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone
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CAS No:
419574-04-2
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Formula:
C20H16F7NO3
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Chemical Name:
(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone
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Synonyms:
3-Morpholinone,6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-,(5S,6R)-;(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone
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CAS No:
(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone Basic Attributes
451.3347624
451.33
L9KBR6F84D
DTXSID50433021
(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone Use and Manufacturing
An active metabolite of Aprepitant
Computed Properties
Molecular Weight:451.3
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:451.10184051
Monoisotopic Mass:451.10184051
Topological Polar Surface Area:47.6
Heavy Atom Count:31
Complexity:597
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(5S,6R)-6-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3-morpholinone
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