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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    85851-95-2

  • Formula:

    C33H44N2O10

  • 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

  • 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

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

Characteristics

125.46000

3.15960

1.222g/cm3

816ºC

444.1ºC

1.568

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

Guide of 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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