[1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate
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[1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate
structure -
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CAS No:
19977-09-4
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Formula:
C28H32N6O4
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Chemical Name:
[1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate
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Synonyms:
19977-09-4;Theophylline, 7-(2-benzoyloxy-3-(4-benzyl-1-piperazinyl)propyl)-;1-Piperazineethanol, 4-benzyl-alpha-(1,3-dimethyl-7-xanthinylmethyl)-, benzoate (ester);1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propan-2-yl benzoate;DTXSID10941910;Benzoic acid 1-[(4-benzyl-1-piperazinyl)methyl]-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
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CAS No:
[1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate Basic Attributes
516.6 g/mol
516.24850352 g/mol
Computed Properties
Molecular Weight:516.6
XLogP3:2.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:516.24850352
Monoisotopic Mass:516.24850352
Topological Polar Surface Area:91.2
Heavy Atom Count:38
Complexity:837
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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