3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5db82f0af1304f2a998376ca61166174.png "3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728890-82-2
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Formula:
C18H13F2N3O4S
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Chemical Name:
3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3271179;AKOS002502456;MCULE-6990474015;Z19629948;3-[({4-[(difluoromethyl)sulfanyl]phenyl}carbamoyl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728890-82-2
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CAS No:
3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
405.4 g/mol
405.05948340 g/mol
Computed Properties
Molecular Weight:405.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:405.05948340
Monoisotopic Mass:405.05948340
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:653
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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