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Home > Encyclopedia > [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate

[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate

[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate structure

[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate 

structure
  • CAS No:

    20630-44-8

  • Formula:

    C23H29ClN6O4

  • Chemical Name:

    [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate

  • Synonyms:

    20630-44-8;BRN 0598468;Theophylline, 7-(2-acetoxy-3-(4-(p-chlorobenzyl)-1-piperazinyl)propyl)-;1-Piperazineethanol, 4-(p-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmethyl)-, acetate (ester);DTXSID30942828;1-{4-[(4-Chlorophenyl)methyl]piperazin-1-yl}-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propan-2-yl acetate;3-[4-(p-Chlorobenzyl)-1-piperazinyl]-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propan-2-ol acetate

[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate Basic Attributes

489.0 g/mol

488.1938811 g/mol

Characteristics

91.2 Ų

Computed Properties

Molecular Weight:489.0
XLogP3:1.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:488.1938811
Monoisotopic Mass:488.1938811
Topological Polar Surface Area:91.2
Heavy Atom Count:34
Complexity:756
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate

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