3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/af5879ba50574f6490ad49ec08461eae.png "3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
796095-29-9
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Formula:
C22H19N3O4S
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Chemical Name:
3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3350921;AKOS002503003;MCULE-6326934714;Z19629377;3-(2-{2,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrol-3-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;796095-29-9
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CAS No:
3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
421.5 g/mol
421.10962727 g/mol
Computed Properties
Molecular Weight:421.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:421.10962727
Monoisotopic Mass:421.10962727
Topological Polar Surface Area:120
Heavy Atom Count:30
Complexity:742
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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