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7-(3-bromobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

7-(3-bromobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
331725-91-8
Formula:
C20H25BrN4O2S
Chemical Name:
7-(3-bromobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
7-(3-bromobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione;ZINC8398219;STK558916;STL002858;AKOS000578585;AKOS005484591;MCULE-4581027555;ST50232342;AG-690/11202083;7-(3-bromobenzyl)-8-(heptylsulfanyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

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7-(3-bromobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

465.4071

Exact Mass：

464.088

Characteristics

PSA：

92.5

XLogP3：

5.4

Density：

1.45±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:465.4
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:464.08816
Monoisotopic Mass:464.08816
Topological Polar Surface Area:92.5
Heavy Atom Count:28
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(3-bromobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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