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2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile
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2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile
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CAS No:
452091-06-4
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Formula:
C18H12N4O4S
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Chemical Name:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile
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Synonyms:
ZINC6537893;Z53858660;2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-4-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)butanenitrile;452091-06-4
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CAS No:
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile Basic Attributes
380.4 g/mol
380.05792605 g/mol
Computed Properties
Molecular Weight:380.4
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:380.05792605
Monoisotopic Mass:380.05792605
Topological Polar Surface Area:136
Heavy Atom Count:27
Complexity:809
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile
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