4-chloro-2-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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![4-chloro-2-[5-[(1,3-diethyl-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/f2b1c2fcacb04c62b2fee952a446b47b.png "4-chloro-2-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid")
4-chloro-2-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
573943-65-4
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Formula:
C20H17ClN2O5S
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Chemical Name:
4-chloro-2-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
ZINC2220932;STL023856;AKOS003195812;MCULE-1100018731;4-chloro-2-{5-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid;573943-65-4
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CAS No:
4-chloro-2-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
432.9 g/mol
432.0546705 g/mol
Computed Properties
Molecular Weight:432.9
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:432.0546705
Monoisotopic Mass:432.0546705
Topological Polar Surface Area:123
Heavy Atom Count:29
Complexity:714
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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