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7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione

7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
19971-87-0
Formula:
C20H26N6O2
Chemical Name:
7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-;19971-87-0;BRN 0586260;7-(2-(4-Benzyl-1-piperazino)ethyl)theophylline;Piperazine, 1-benzyl-4-(1,3-dimethylxanthin-7-yl)ethyl-;SCHEMBL4461767;DTXSID00173768;7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(4-Benzyl-1-piperazinyl)ethyl]theophyline

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7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

382.5 g/mol

Exact Mass：

382.21172409 g/mol

DSSTox ID：

DTXSID00173768

Characteristics

PSA：

64.9 Å²

Computed Properties

Molecular Weight:382.5
XLogP3:0.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:382.21172409
Monoisotopic Mass:382.21172409
Topological Polar Surface Area:64.9
Heavy Atom Count:28
Complexity:573
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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