2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]but-2-enenitrile
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![2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]but-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7e6b2209402b4451ae85118ffee166a8.png "2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]but-2-enenitrile")
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]but-2-enenitrile
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CAS No:
568559-31-9
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Formula:
C25H23N5O2S2
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Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]but-2-enenitrile
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Synonyms:
ZINC3350609;Z15648196;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-4-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl}butanenitrile;568559-31-9
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CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]but-2-enenitrile Basic Attributes
489.6 g/mol
489.12931734 g/mol
Computed Properties
Molecular Weight:489.6
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:489.12931734
Monoisotopic Mass:489.12931734
Topological Polar Surface Area:159
Heavy Atom Count:34
Complexity:928
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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