3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/35fe670fb4f24d0fb7bc913332a66539.png "3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728892-09-9
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Formula:
C21H21N3O4
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Chemical Name:
3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3271590;AKOS002502650;MCULE-6875254151;NCGC00281806-01;AB00716984-01;AB00716984-02;Z19630129;3-({[2-methyl-6-(propan-2-yl)phenyl]carbamoyl}methyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728892-09-9
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CAS No:
3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
379.4 g/mol
379.15320616 g/mol
Computed Properties
Molecular Weight:379.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:379.15320616
Monoisotopic Mass:379.15320616
Topological Polar Surface Area:99.1
Heavy Atom Count:28
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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