3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cc92d59cfad24adcb36757653563d73b.png "3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
721914-19-8
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Formula:
C20H16N4O4
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Chemical Name:
3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS001172504;SMR000591155;CHEMBL1582454;HMS2898H18;ZINC3245965;AKOS002503430;MCULE-7108574933;NCGC00291418-01;AB00835646-06;SR-01000807361;SR-01000807361-2;Z19629986;3-{[(2-cyanoethyl)(phenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;721914-19-8
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CAS No:
3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
376.4 g/mol
376.11715500 g/mol
Computed Properties
Molecular Weight:376.4
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:376.11715500
Monoisotopic Mass:376.11715500
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:704
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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