4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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![4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bdbb662f799e4002a52023beece2cbcc.png "4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid")
4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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CAS No:
728013-29-4
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Formula:
C18H13N5O3S
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Chemical Name:
4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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Synonyms:
ZINC5906631;STK328847;STK594847;AKOS000585451;AKOS005516346;MCULE-3968389368;4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid;4-{3-mercapto-5-[(1-oxophthalazin-2(1H)-yl)methyl]-4H-1,2,4-triazol-4-yl}benzoic acid;4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoic acid;728013-29-4
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CAS No:
4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Basic Attributes
379.4 g/mol
379.07391047 g/mol
Computed Properties
Molecular Weight:379.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:379.07391047
Monoisotopic Mass:379.07391047
Topological Polar Surface Area:130
Heavy Atom Count:27
Complexity:701
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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