5-(azepan-1-yl)-2-[(E)-(3-benzyl-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-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/99d98466677c47c0a3abd743afaed863.png "5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile")
5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
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CAS No:
848752-29-4
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Formula:
C21H20N4O2S2
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Chemical Name:
5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
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Synonyms:
ZINC9210285;STK707401;AKOS005184633;5-(1-azepanyl)-2-[(3-benzyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)methyl]-1,3-oxazol-4-yl cyanide;5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile;848752-29-4
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CAS No:
5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile Basic Attributes
424.5 g/mol
424.10276824 g/mol
Computed Properties
Molecular Weight:424.5
XLogP3:4.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:424.10276824
Monoisotopic Mass:424.10276824
Topological Polar Surface Area:131
Heavy Atom Count:29
Complexity:705
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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