Chemical ID: 5839979

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)S)CC(COc3cccc4c3cccc4)O
Chemical ID:
5839979
Name [?]:
7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-8-sulfanyl-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)S)CC(COc3cccc4c3cccc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.55107
Area:590.633
Solvation:-5.21475
Coulombic:-78.896
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:398.437
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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