[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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[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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CAS No:
20630-44-8
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Formula:
C23H29ClN6O4
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Chemical Name:
[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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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
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CAS No:
[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
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
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