5-(azepan-1-yl)-2-[(E)-[3-[(4-fluorophenyl)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-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/50b0a96a74c449d8a46d32a5222f4d75.png "5-(azepan-1-yl)-2-[(E)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile")
5-(azepan-1-yl)-2-[(E)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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CAS No:
847183-60-2
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Formula:
C21H19FN4O2S2
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Chemical Name:
5-(azepan-1-yl)-2-[(E)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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Synonyms:
STK905983;ZINC13777510;AKOS005184337;ST50961210;5-(1-azepanyl)-2-{[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}-1,3-oxazol-4-yl cyanide;5-(azepan-1-yl)-2-{(E)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile;5-azaperhydroepinyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo(1,3-thiazoli din-5-ylidene)}methyl)-1,3-oxazole-4-carbonitrile;847183-60-2
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CAS No:
5-(azepan-1-yl)-2-[(E)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile Basic Attributes
442.5 g/mol
442.09334637 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:4.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:442.09334637
Monoisotopic Mass:442.09334637
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:739
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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