2-(1H-benzimidazol-2-yl)-4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a84fa40cdfdb47218c20de2ec20eaa49.png "2-(1H-benzimidazol-2-yl)-4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile")
2-(1H-benzimidazol-2-yl)-4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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CAS No:
734534-72-6
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Formula:
C20H16N6OS2
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC3361410;Z19326884;4-{[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;734534-72-6
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes
420.5 g/mol
420.08270150 g/mol
Computed Properties
Molecular Weight:420.5
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:420.08270150
Monoisotopic Mass:420.08270150
Topological Polar Surface Area:164
Heavy Atom Count:29
Complexity:632
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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