[4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate
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[4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate
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CAS No:
380477-46-3
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Formula:
C28H26N2O4
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Chemical Name:
[4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate
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Synonyms:
4-{(1E)-2-cyano-3-oxo-3-[(2,4,6-trimethylphenyl)amino]prop-1-en-1-yl}-2-ethoxyphenyl benzoate;ZINC1439517;STK522845;AKOS005454256;MCULE-8137053715;[4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate;380477-46-3
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CAS No:
[4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate Basic Attributes
454.5 g/mol
454.18925731 g/mol
Computed Properties
Molecular Weight:454.5
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:454.18925731
Monoisotopic Mass:454.18925731
Topological Polar Surface Area:88.4
Heavy Atom Count:34
Complexity:767
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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