4-[2-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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![4-[2-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c177aa6d9d1b46848f7b90f556d5ae69.png "4-[2-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid")
4-[2-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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CAS No:
444693-63-4
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Formula:
C23H17N3O5S
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Chemical Name:
4-[2-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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Synonyms:
STK570238;ZINC20290537;AKOS003993695;AKOS005495421;4-(2-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid;444693-63-4
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CAS No:
4-[2-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Basic Attributes
447.5 g/mol
447.08889182 g/mol
Computed Properties
Molecular Weight:447.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:447.08889182
Monoisotopic Mass:447.08889182
Topological Polar Surface Area:133
Heavy Atom Count:32
Complexity:800
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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