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

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

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

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

structure
  • CAS No:

    19977-11-8

  • Formula:

    C28H31ClN6O4

  • Chemical Name:

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

  • Synonyms:

    1-[4-(2-chlorobenzyl)piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propan-2-yl benzoate; Theophylline,7-(2-benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl); 7-{2-benzoyloxy-3-[4-(2-chloro-benzyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 7-(2-Benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl)theophylline;

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

551.03700

550.2095312 g/mol

Characteristics

94.60000

2.00630

1.36g/cm3

737.4ºC

399.7ºC

1.662

1.32E-21mmHg at 25°C

Computed Properties

Molecular Weight:551.0
XLogP3:3.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:550.2095312
Monoisotopic Mass:550.2095312
Topological Polar Surface Area:91.2
Heavy Atom Count:39
Complexity:880
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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