3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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![3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c53c0cbd0bd2430b9c162226713c0555.png "3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid")
3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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CAS No:
587010-23-9
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Formula:
C24H19N3O4S
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Chemical Name:
3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
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Synonyms:
STK568907;ZINC20332891;AKOS003207545;AKOS005494367;3-(2-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid;587010-23-9
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CAS No:
3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Basic Attributes
445.5 g/mol
445.10962727 g/mol
Computed Properties
Molecular Weight:445.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:445.10962727
Monoisotopic Mass:445.10962727
Topological Polar Surface Area:124
Heavy Atom Count:32
Complexity:805
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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