2-(1H-benzimidazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-hydroxybut-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/04448ec60e4d47e8898c7a7cc46600ef.png "2-(1H-benzimidazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-hydroxybut-2-enenitrile")
2-(1H-benzimidazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-hydroxybut-2-enenitrile
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CAS No:
732985-39-6
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Formula:
C17H10ClF3N4OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC3303973;Z16524136;4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;732985-39-6
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-hydroxybut-2-enenitrile Basic Attributes
410.8 g/mol
410.0215943 g/mol
Computed Properties
Molecular Weight:410.8
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:410.0215943
Monoisotopic Mass:410.0215943
Topological Polar Surface Area:111
Heavy Atom Count:27
Complexity:623
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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