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7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

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

CAS No:
331841-41-9
Formula:
C21H27ClN4O2S
Chemical Name:
7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

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

Molecular Weight：

434.98268

Exact Mass：

434.154

Characteristics

PSA：

92.5

XLogP3：

5.9

Computed Properties

Molecular Weight:435.0
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:434.1543250
Monoisotopic Mass:434.1543250
Topological Polar Surface Area:92.5
Heavy Atom Count:29
Complexity:567
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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