6-(azepan-1-yl)-1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
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![6-(azepan-1-yl)-1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e5f5c499a2ec4d0ea865a26350d0840b.png "6-(azepan-1-yl)-1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile")
6-(azepan-1-yl)-1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
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CAS No:
619268-53-0
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Formula:
C23H30N4O2S2
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Chemical Name:
6-(azepan-1-yl)-1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
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Synonyms:
ZINC2416144;STK597981;AKOS002712345;(Z)-6-(azepan-1-yl)-5-((3-isopentyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;6-(azepan-1-yl)-1,4-dimethyl-5-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile;619268-53-0
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CAS No:
6-(azepan-1-yl)-1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile Basic Attributes
458.6 g/mol
458.18101856 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:4.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:458.18101856
Monoisotopic Mass:458.18101856
Topological Polar Surface Area:125
Heavy Atom Count:31
Complexity:931
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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