3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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![3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/265fc879de064ad196e5a0492034618e.png "3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid")
3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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CAS No:
867136-56-9
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Formula:
C20H21BrN2O4S2
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Chemical Name:
3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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Synonyms:
(Z)-3-(5-(5-bromo-1-hexyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid;867136-56-9;ZINC2701142;STK816256;AKOS002231874;3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;AB00686361-01;F1673-1923;3-[(5Z)-5-(5-bromo-1-hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
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CAS No:
3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Basic Attributes
497.4 g/mol
496.01261 g/mol
Computed Properties
Molecular Weight:497.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:496.01261
Monoisotopic Mass:496.01261
Topological Polar Surface Area:135
Heavy Atom Count:29
Complexity:742
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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