Chemical ID: 4595940

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCC(=O)c3ccccc3)Cc4ccccc4
Chemical ID:
4595940
Name [?]:
7-benzyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCC(=O)c3ccccc3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N4O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6029
Area:611.197
Solvation:-3.67704
Coulombic:-62.9483
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.459
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.88
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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