5-(azepan-1-yl)-2-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7d8931365042461b97dc127cf05b7541.png "5-(azepan-1-yl)-2-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile")
5-(azepan-1-yl)-2-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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CAS No:
845653-21-6
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Formula:
C23H24N4O3S2
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Chemical Name:
5-(azepan-1-yl)-2-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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Synonyms:
ZINC9281577;STK707405;AKOS005184361;5-(1-azepanyl)-2-{[3-(4-methoxyphenethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}-1,3-oxazol-4-yl cyanide;5-(azepan-1-yl)-2-[(E)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile;845653-21-6
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CAS No:
5-(azepan-1-yl)-2-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile Basic Attributes
468.6 g/mol
468.12898299 g/mol
Computed Properties
Molecular Weight:468.6
XLogP3:5.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:468.12898299
Monoisotopic Mass:468.12898299
Topological Polar Surface Area:140
Heavy Atom Count:32
Complexity:766
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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