3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c58c451f587749cd86d36f6d1654d4d5.png "3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
742121-04-6
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Formula:
C21H21N3O6S
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Chemical Name:
3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000776629;CHEMBL1458460;HMS2699G20;ZINC2629294;MCULE-4595727630;SMR000371872;Z19629591;3-({[3-(ethoxycarbonyl)-5-ethyl-4-methylthiophen-2-yl]carbamoyl}methyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;742121-04-6
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CAS No:
3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
443.5 g/mol
443.11510657 g/mol
Computed Properties
Molecular Weight:443.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:443.11510657
Monoisotopic Mass:443.11510657
Topological Polar Surface Area:154
Heavy Atom Count:31
Complexity:772
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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