2-[[5-[(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
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![2-[[5-[(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0a42b66ea46e4064b18742dc74372dde.png "2-[[5-[(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione")
2-[[5-[(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
structure -
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CAS No:
585556-88-3
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Formula:
C29H23N3O6S
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Chemical Name:
2-[[5-[(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
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Synonyms:
ZINC2383726;STK559267;STK998612;AKOS005484743;AKOS032386047;2-(5-{(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione;2-(5-{(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione;585556-88-3
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CAS No:
2-[[5-[(E)-[1-(2-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione Basic Attributes
541.6 g/mol
541.13075664 g/mol
Computed Properties
Molecular Weight:541.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:541.13075664
Monoisotopic Mass:541.13075664
Topological Polar Surface Area:137
Heavy Atom Count:39
Complexity:1020
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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