3-Methylbutyl 2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-1,4-benzodioxin-5-carboxylate
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3-Methylbutyl 2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-1,4-benzodioxin-5-carboxylate
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CAS No:
85851-95-2
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Formula:
C33H44N2O10
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Chemical Name:
3-Methylbutyl 2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-1,4-benzodioxin-5-carboxylate
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Synonyms:
1,4-Benzodioxin-5-carboxylic acid,2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-,3-methylbutyl ester;1,4-Benzodioxin-5-carboxylic acid,2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-1-piperazinyl]propoxy]-,3-methylbutyl ester;3-Methylbutyl 2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-1,4-benzodioxin-5-carboxylate
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CAS No:
3-Methylbutyl 2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-1,4-benzodioxin-5-carboxylate Basic Attributes
628.71000
628.71
288-656-6
Drug Information
2,3-dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)-propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester
Computed Properties
Molecular Weight:628.7
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:628.29959560
Monoisotopic Mass:628.29959560
Topological Polar Surface Area:126
Heavy Atom Count:45
Complexity:928
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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