2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)but-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)but-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3fff8e1adbe24a4b81cae020f81524fe.png "2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)but-2-enenitrile")
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)but-2-enenitrile
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CAS No:
731786-16-6
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Formula:
C19H13N7OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)but-2-enenitrile
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Synonyms:
731786-16-6;ZINC3355384;Z16226387;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-4-{2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}butanenitrile
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CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)but-2-enenitrile Basic Attributes
387.4 g/mol
387.09022924 g/mol
Computed Properties
Molecular Weight:387.4
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:387.09022924
Monoisotopic Mass:387.09022924
Topological Polar Surface Area:144
Heavy Atom Count:28
Complexity:678
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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