[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-yl] benzoate
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[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-yl] benzoate
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CAS No:
19977-12-9
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Formula:
C31H38N6O4
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Chemical Name:
[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-yl] benzoate
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Synonyms:
7-{2-benzoyloxy-3-[4-(4-isopropyl-benzyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)-3-{4-[4-(propan-2-yl)benzyl]piperazin-1-yl}propan-2-yl benzoate; Theophylline,7-(2-benzoyloxy-3-(4-(p-isopropylbenzyl)-1-piperazinyl)propyl);
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CAS No:
[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-yl] benzoate Basic Attributes
558.67100
558.29545371 g/mol
Computed Properties
Molecular Weight:558.7
XLogP3:3.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:558.29545371
Monoisotopic Mass:558.29545371
Topological Polar Surface Area:91.2
Heavy Atom Count:41
Complexity:910
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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