2-chloro-4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
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![2-chloro-4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d572b65ce636477f887e360f10aa015c.png "2-chloro-4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid")
2-chloro-4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
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CAS No:
577989-25-4
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Formula:
C22H12ClFN2O5S
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Chemical Name:
2-chloro-4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
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Synonyms:
C22H12ClFN2O5S;ZINC2349366;AKOS000328292;(E)-2-chloro-4-(5-((1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid;577989-25-4
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CAS No:
2-chloro-4-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Basic Attributes
470.9 g/mol
470.0139485 g/mol
Computed Properties
Molecular Weight:470.9
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:470.0139485
Monoisotopic Mass:470.0139485
Topological Polar Surface Area:132
Heavy Atom Count:32
Complexity:839
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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