3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ea644a022ea84da8836ac9559b76c8d6.png "3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728893-18-3
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Formula:
C18H14BrN3O4
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Chemical Name:
3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS001177946;CHEMBL1703603;HMS2919J24;ZINC3271858;AKOS002502398;MCULE-3386032600;SMR000591158;AB00716980-01;Z19629997;3-{[(4-bromo-3-methylphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728893-18-3
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CAS No:
3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
416.2 g/mol
415.01677 g/mol
Computed Properties
Molecular Weight:416.2
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:415.01677
Monoisotopic Mass:415.01677
Topological Polar Surface Area:99.1
Heavy Atom Count:26
Complexity:624
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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