2-[5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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![2-[5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bcd9f4d46e114573abd9d54e15a72037.png "2-[5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid")
2-[5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
713093-17-5
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Formula:
C17H12N2O5S
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Chemical Name:
2-[5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
2-{5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoic acid;ZINC9286870;STL055425;AKOS000328898;AKOS005708098;713093-17-5
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CAS No:
2-[5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
356.4 g/mol
356.04669266 g/mol
Computed Properties
Molecular Weight:356.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:356.04669266
Monoisotopic Mass:356.04669266
Topological Polar Surface Area:132
Heavy Atom Count:25
Complexity:647
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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