methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
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methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
structure -
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CAS No:
845899-58-3
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Formula:
C28H21N3O4S
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Chemical Name:
methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
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Synonyms:
ZINC9303546;STL344053;AKOS022127320;845899-58-3;methyl 4-{(E)-[(2E)-2-{1-cyano-2-[(3-methylphenyl)amino]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzoate
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CAS No:
methyl 4-[(E)-[(2E)-2-[1-cyano-2-(3-methylanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate Basic Attributes
495.5 g/mol
495.12527733 g/mol
Computed Properties
Molecular Weight:495.5
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:495.12527733
Monoisotopic Mass:495.12527733
Topological Polar Surface Area:125
Heavy Atom Count:36
Complexity:967
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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