3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/17bad8c3f72a46c29de7b2fe0703dadd.png "3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728898-06-4
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Formula:
C21H21N3O4
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Chemical Name:
3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3272510;AKOS002502691;MCULE-3134318081;Z19629982;3-{[(4-tert-butylphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728898-06-4
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CAS No:
3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
379.4 g/mol
379.15320616 g/mol
Computed Properties
Molecular Weight:379.4
XLogP3:3.4
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:659
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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