4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
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![4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f1886705a4294a538c69bec1cc106c1b.png "4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid")
4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
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CAS No:
332849-40-8
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Formula:
C21H23NO5
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Chemical Name:
4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
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Synonyms:
HMS2419K09; N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-2-(4-methyl-benzyl)-succinamic acid;
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CAS No:
4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid Basic Attributes
369.41100
369.15762283
DTXSID90389654
2932999099
Computed Properties
Molecular Weight:369.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:369.15762283
Monoisotopic Mass:369.15762283
Topological Polar Surface Area:84.9
Heavy Atom Count:27
Complexity:503
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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