[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate
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[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate
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CAS No:
5681-06-1
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Formula:
C21H16BrNO4S2
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Chemical Name:
[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate
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Synonyms:
SMSF0006951;ZINC2920495;AKOS000407482;CB02037;BIM-0000576.P001;3-Bromo-benzoic acid 4-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-2-me;5681-06-1
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CAS No:
[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate Basic Attributes
490.4 g/mol
488.97041 g/mol
Computed Properties
Molecular Weight:490.4
XLogP3:5.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:488.97041
Monoisotopic Mass:488.97041
Topological Polar Surface Area:113
Heavy Atom Count:29
Complexity:698
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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