3-[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7cd24e03ba924532bece2ec28f96f521.png "3-[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
757214-29-2
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Formula:
C25H22ClN3O4
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Chemical Name:
3-[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000776393;CHEMBL1611781;HMS2680H21;ZINC2618705;MCULE-7756277809;NCGC00277714-01;SMR000371390;AB00606223-06;Z19629386;3-(2-{1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;757214-29-2
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CAS No:
3-[2-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
463.9 g/mol
463.1298839 g/mol
Computed Properties
Molecular Weight:463.9
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:463.1298839
Monoisotopic Mass:463.1298839
Topological Polar Surface Area:92
Heavy Atom Count:33
Complexity:795
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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