3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ed20f4d902464d7d8cb5d9d10835b6c0.png "3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
521280-66-0
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Formula:
C20H17N3O4
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Chemical Name:
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3241283;MCULE-4219335315;Z19630045;4-oxo-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3,4-dihydrophthalazine-1-carboxylic acid;521280-66-0
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CAS No:
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
363.4 g/mol
363.12190603 g/mol
Computed Properties
Molecular Weight:363.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:363.12190603
Monoisotopic Mass:363.12190603
Topological Polar Surface Area:90.3
Heavy Atom Count:27
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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