[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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[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate
structure -
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CAS No:
19977-11-8
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Formula:
C28H31ClN6O4
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Chemical Name:
[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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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;
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CAS No:
[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
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
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