(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid
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![(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1b0dcd06f4b24323b9ce738efd13bfa4.png "(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid")
(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid
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CAS No:
1001510-01-5
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Formula:
C29H25N3O5
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Chemical Name:
(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid
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Synonyms:
1001510-01-5;(2E)-3-[benzyl({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})carbamoyl]prop-2-enoic acid;(E)-4-(benzyl((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl)methyl)amino)-4-oxobut-2-enoic acid;ZINC2701474;AKOS024609122;(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid;F1683-2798
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CAS No:
(E)-4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid Basic Attributes
495.5 g/mol
495.17942091 g/mol
Computed Properties
Molecular Weight:495.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:495.17942091
Monoisotopic Mass:495.17942091
Topological Polar Surface Area:93.9
Heavy Atom Count:37
Complexity:794
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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