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[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate

[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate structure

CAS No:
37419-58-2
Formula:
C20H18N4O6S2
Chemical Name:
[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate
Synonyms:
37419-58-2;2-Thiophenecarboxylate de 7-(2,3-dihydroxypropyl)theophylline [French];2-Thiophenecarboxylic acid, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester;3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propane-1,2-diyl dithiophene-2-carboxylate;DTXSID70958509;2-Thiophenecarboxylate de 7-(2,3-dihydroxypropyl)theophylline

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[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate Basic Attributes

Molecular Weight：

474.5 g/mol

Exact Mass：

474.06677665 g/mol

Characteristics

PSA：

168 Å²

Computed Properties

Molecular Weight:474.5
XLogP3:2.7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:474.06677665
Monoisotopic Mass:474.06677665
Topological Polar Surface Area:168
Heavy Atom Count:32
Complexity:770
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(thiophene-2-carbonyloxy)propyl] thiophene-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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