5-(azepan-1-yl)-2-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/938322df4f77415eba986f76a7e514c6.png "5-(azepan-1-yl)-2-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile")
5-(azepan-1-yl)-2-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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CAS No:
848670-72-4
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Formula:
C22H20N4O4S2
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Chemical Name:
5-(azepan-1-yl)-2-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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Synonyms:
STK707400;ZINC13779009;AKOS005184632;5-(1-azepanyl)-2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}-1,3-oxazol-4-yl cyanide;5-(azepan-1-yl)-2-{(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile;848670-72-4
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CAS No:
5-(azepan-1-yl)-2-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile Basic Attributes
468.6 g/mol
468.09259748 g/mol
Computed Properties
Molecular Weight:468.6
XLogP3:4.4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:468.09259748
Monoisotopic Mass:468.09259748
Topological Polar Surface Area:149
Heavy Atom Count:32
Complexity:822
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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