3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid
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![3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9370675baf474ad48508363b448015cd.png "3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid")
3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid
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CAS No:
380475-54-7
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Formula:
C25H19FN2O5
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Chemical Name:
3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid
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Synonyms:
3-{[(2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoic acid;MLS001172620;CHEMBL1530375;HMS2906I10;ZINC1438749;STK522691;AKOS001009579;MCULE-5378474161;3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid;SMR000591279;AB00712921-01;380475-54-7
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CAS No:
3-[[(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid Basic Attributes
446.4 g/mol
446.12779987 g/mol
Computed Properties
Molecular Weight:446.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:446.12779987
Monoisotopic Mass:446.12779987
Topological Polar Surface Area:109
Heavy Atom Count:33
Complexity:755
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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