2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoicacid
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amino]ethyl]-5-fluoroBenzenebutanoicacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f369083c1e454cf39e30150a37d8fe99.png "2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoicacid")
2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoicacid
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CAS No:
290315-45-6
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Formula:
C24H21ClF3NO4S
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Chemical Name:
2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoicacid
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Synonyms:
2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoic acid;BMS 299897;γ-Secretase Inhibitor XXIV, BMS299897;BMS-299897 (BMS 299897;γ-Secretase Inhibitor XXIV, BMS299897 - CAS 290315-45-6 - Calbiochem;Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoro-
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CAS No:
Description
4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid is a sulfonamide.
2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoicacid Basic Attributes
511.94
511.0831915
QK855F579S
DTXSID50460039
Characteristics
83.06000
7.20190
White to off-white solid
1.421±0.06 g/cm3
620.0±65.0 °C(Predicted)
328.7ºC
4.71±0.10
Drug Information
4-(2-((1R)-1-(((4-chlorophenyl)sulfonyl)-2,5-difluoroanilino)ethyl)-5-fluorophenyl)butanoic acid
Computed Properties
Molecular Weight:511.9
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:511.0831915
Monoisotopic Mass:511.0831915
Topological Polar Surface Area:83.1
Heavy Atom Count:34
Complexity:775
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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