3-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8b95ec55b10b4d5eb3d086ef1ae11481.png "3-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
729584-00-3
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Formula:
C21H18N4O4S
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Chemical Name:
3-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3290898;MCULE-2811297644;SR-01000040821;SR-01000040821-1;Z19629317;3-[({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;729584-00-3
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CAS No:
3-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
422.5 g/mol
422.10487624 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:422.10487624
Monoisotopic Mass:422.10487624
Topological Polar Surface Area:151
Heavy Atom Count:30
Complexity:806
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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