4-chloro-3-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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![4-chloro-3-[5-[(E)-(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/20220812/56a86cfb629448b0a2489e8a97384fbd.png "4-chloro-3-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid")
4-chloro-3-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
677771-97-0
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Formula:
C17H11ClN2O5S
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Chemical Name:
4-chloro-3-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
4-chloro-3-{5-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid;ZINC2356341;STK187355;STL057361;AKOS000329582;AKOS005710015;4-chloro-3-{5-[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoic acid;677771-97-0
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CAS No:
4-chloro-3-[5-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
390.8 g/mol
390.0077203 g/mol
Computed Properties
Molecular Weight:390.8
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:390.0077203
Monoisotopic Mass:390.0077203
Topological Polar Surface Area:132
Heavy Atom Count:26
Complexity:682
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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