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8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
331675-45-7
Formula:
C21H28N4O4S
Chemical Name:
8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione;STK526891;AKOS005460312;MCULE-5293501896;NCGC00274677-01;AB01278672-01;AG-690/11060018

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8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

432.53642

Exact Mass：

432.183

Characteristics

PSA：

122

XLogP3：

3.3

Computed Properties

Molecular Weight:432.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:432.18312656
Monoisotopic Mass:432.18312656
Topological Polar Surface Area:122
Heavy Atom Count:30
Complexity:587
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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