3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8fabb5ce0f5542ad97be91a190784f32.png "3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
733033-97-1
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Formula:
C24H18F3N3O4
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Chemical Name:
3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000776467;SMR000371461;CHEMBL1887492;BDBM33014;cid_2464775;HMS2758J14;ZINC3347956;AKOS002503525;MCULE-3262853542;3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid;Z19629646;3-(2-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid;3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid;3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid;733033-97-1
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CAS No:
3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
469.4 g/mol
469.12494055 g/mol
Computed Properties
Molecular Weight:469.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:469.12494055
Monoisotopic Mass:469.12494055
Topological Polar Surface Area:92
Heavy Atom Count:34
Complexity:861
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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