5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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![5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/13d045e1197d47ff83fe1b0ae9433908.png "5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile")
5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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CAS No:
847176-07-2
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Formula:
C22H22N4O3S2
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Chemical Name:
5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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Synonyms:
ZINC9159669;STK905991;AKOS005184470;5-(1-azepanyl)-2-{[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}-1,3-oxazol-4-yl cyanide;5-(azepan-1-yl)-2-{(E)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile;847176-07-2
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CAS No:
5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile Basic Attributes
454.6 g/mol
454.11333292 g/mol
Computed Properties
Molecular Weight:454.6
XLogP3:4.6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:454.11333292
Monoisotopic Mass:454.11333292
Topological Polar Surface Area:140
Heavy Atom Count:31
Complexity:751
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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