(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid
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![(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1f341d2cd655403095729d79a64b1531.png "(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid")
(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid
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CAS No:
957047-72-2
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Formula:
C20H16BrN3O3
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Chemical Name:
(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid
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Synonyms:
957047-72-2;(2E)-3-({[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}carbamoyl)prop-2-enoic acid;(E)-4-(((3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methyl)amino)-4-oxobut-2-enoic acid;ZINC2628655;AKOS001043216;(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid;F1683-2873
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CAS No:
(E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid Basic Attributes
426.3 g/mol
425.03750 g/mol
Computed Properties
Molecular Weight:426.3
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:425.03750
Monoisotopic Mass:425.03750
Topological Polar Surface Area:84.2
Heavy Atom Count:27
Complexity:543
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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