3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/20046ff27c214e88ad05bc6e5d0030ec.png "3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
796117-80-1
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Formula:
C19H16F3N3O4
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Chemical Name:
3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000761008;SMR000372307;CHEMBL1505517;BDBM47973;cid_2439069;HMS2715D12;ZINC3323593;AKOS002502511;MCULE-5247976145;3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid;AB00589202-02;Z19630189;3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid;3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid;3-[2-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid;3-{2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;796117-80-1
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CAS No:
3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
407.3 g/mol
407.10929049 g/mol
Computed Properties
Molecular Weight:407.3
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:407.10929049
Monoisotopic Mass:407.10929049
Topological Polar Surface Area:92
Heavy Atom Count:29
Complexity:724
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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