5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/71a14cbe6cfc472d9222fcab385355e7.png "5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile")
5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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CAS No:
845985-32-2
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Formula:
C24H26N4O4S2
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Chemical Name:
5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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Synonyms:
ZINC9282088;STK905918;AKOS005184227;5-(1-azepanyl)-2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}-1,3-oxazol-4-yl cyanide;5-(azepan-1-yl)-2-[(E)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile;845985-32-2
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CAS No:
5-(azepan-1-yl)-2-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile Basic Attributes
498.6 g/mol
498.13954767 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:498.13954767
Monoisotopic Mass:498.13954767
Topological Polar Surface Area:149
Heavy Atom Count:34
Complexity:823
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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