4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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![4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4c9b092e37df4e579026c19a9d9ed46c.png "4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid")
4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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CAS No:
347385-29-9
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Formula:
C25H17FN2O5S
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Chemical Name:
4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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Synonyms:
STL047404;ZINC17196074;AKOS003217730;AKOS005700851;(Z)-4-((4-((1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid;347385-29-9;4-[(4-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)methyl]benzoic acid
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CAS No:
4-[[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Basic Attributes
476.5 g/mol
476.08422098 g/mol
Computed Properties
Molecular Weight:476.5
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:476.08422098
Monoisotopic Mass:476.08422098
Topological Polar Surface Area:128
Heavy Atom Count:34
Complexity:833
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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