2-[(2,6-diiodo-4-{[3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

Iupac Name：2-bromo-1-(4-hydroxyphenyl)propan-1-one

CAS No.: 53946-87-5

Molecular Weight：230.0785

Modify Date.: 2022-04-05 13:31

1. Names and Identifiers

1.1 Name: 2-[(2,6-diiodo-4-{[3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
1.2 Synonyms: 2-((2,6-diiodo-4-((Z)-((E)-3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)phenoxy)methyl)benzonitrile 2-[(2,6-Diiod-4-{(Z 2-[(2,6-Diiodo-4-{( 2-[(2,6-diiodo-4-{(Z)-[(2E)-3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile 2-{2,6-Diiodo-4-[3-(4-methoxy-benzyl)-4-oxo-2-phenylimino-thiazolidin-5-ylidenemethyl]-phenoxymethyl}-benzonitrile Benzonitrile, 2-[[2 IFHIAQRIZRTQBM-JHQSJRIHSA-N

2. Properties

3. Computational chemical data

Molecular Weight: 230.0785g/mol
Molecular Formula: C_₂₂H_₁₉BrClF_₃N_₄O
Compound Is Canonicalized: True
XLogP3-AA: 2.4
Exact Mass: 227.97859
Monoisotopic Mass: 227.97859
Complexity: 162
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABzASAmAAyBoAAAgCIAqBSAAACAAAkIAAIiAEGCOgoJjKCFRKAcQAkwBEImZeIzKDOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

506445-94-9 ethyl 4-(5-{[3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoate

444939-26-8 (2-ethoxy-6-iodo-4-{[4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

664349-07-9 2-chloro-5-(5-{[3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid

666820-49-1 4-[(E)-{(2Z)-[(4E,5Z)-3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazono}methyl]benzonitrile

667868-95-3 (2-Bromo-4-{(E)-[(2E)-3-ethyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

496936-73-3 ethyl 4-{[3-butyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}benzoate

1434277-06-1 methyl 2-[4-oxo-2-(phenylimino)-3-(beta-D-mannopyranosylamino)thiazolidin-5-ylidene]acetate

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