3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
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![3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2272ee869e47434689f96952f872ead5.png "3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid")
3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
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CAS No:
522657-04-1
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Formula:
C27H23BrN2O5
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Chemical Name:
3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
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Synonyms:
ZINC3255548;AKOS001055159;3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid;522657-04-1
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CAS No:
3-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Basic Attributes
535.4 g/mol
534.07903 g/mol
Computed Properties
Molecular Weight:535.4
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:534.07903
Monoisotopic Mass:534.07903
Topological Polar Surface Area:109
Heavy Atom Count:35
Complexity:809
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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