3-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f3434a4099a14e298275e80727b2595a.png "3-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
727979-18-2
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Formula:
C22H21N3O8S
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Chemical Name:
3-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3371029;AKOS002502607;MCULE-8655806711;Z19629309;3-({[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}methyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;727979-18-2
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CAS No:
3-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
487.5 g/mol
487.10493581 g/mol
Computed Properties
Molecular Weight:487.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:487.10493581
Monoisotopic Mass:487.10493581
Topological Polar Surface Area:180
Heavy Atom Count:34
Complexity:878
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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