(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
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![(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/221ced8a06fa4eb3a750c2d1e05eb8b2.png "(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide")
(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
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CAS No:
956362-01-9
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Formula:
C20H19ClF3N3OS
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Chemical Name:
(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
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Synonyms:
ZINC3351886;AKOS034827507;MCULE-9233230002;Z57023927;(2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;956362-01-9
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CAS No:
(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide Basic Attributes
441.9 g/mol
441.0889456 g/mol
Computed Properties
Molecular Weight:441.9
XLogP3:6.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:441.0889456
Monoisotopic Mass:441.0889456
Topological Polar Surface Area:82.3
Heavy Atom Count:29
Complexity:580
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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