ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
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![ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5dfd51e13801404ebd0697e4dfbe660c.png "ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate")
ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
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CAS No:
489433-25-2
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Formula:
C17H19F4N3O3S
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Chemical Name:
ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
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Synonyms:
C17H19F4N3O3S;STK771387;AKOS003296120;MCULE-2659173350;ethyl 3,3,3-trifluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(pentanoylamino)alaninate;3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-pentanoylamino-propionic acid ethyl ester;Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate #
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CAS No:
ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate Basic Attributes
421.4096728
421.108
Computed Properties
Molecular Weight:421.4
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:421.10832530
Monoisotopic Mass:421.10832530
Topological Polar Surface Area:109
Heavy Atom Count:28
Complexity:566
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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