3-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]-4-oxophthalazine-1-carboxylic acid
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![3-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5104dd2379e0450b9ee9139b710f9135.png "3-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]-4-oxophthalazine-1-carboxylic acid")
3-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
522625-40-7
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Formula:
C20H12N4O4S
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Chemical Name:
3-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
Z54178258;3-[3-cyano-3-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-2-oxopropyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;522625-40-7
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CAS No:
3-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
404.4 g/mol
404.05792605 g/mol
Computed Properties
Molecular Weight:404.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:404.05792605
Monoisotopic Mass:404.05792605
Topological Polar Surface Area:155
Heavy Atom Count:29
Complexity:817
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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