3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6f2e34642394478696e2b1d9b1071ff4.png "3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
796118-66-6
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Formula:
C21H19N3O6S
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Chemical Name:
3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3323692;AKOS002502519;MCULE-4556533138;Z19628936;3-({[3-(ethoxycarbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamoyl}methyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;796118-66-6
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CAS No:
3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
441.5 g/mol
441.09945651 g/mol
Computed Properties
Molecular Weight:441.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:441.09945651
Monoisotopic Mass:441.09945651
Topological Polar Surface Area:154
Heavy Atom Count:31
Complexity:802
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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