Chemical ID: 5720023

Cn1c2c(c(nc1=O)O)n(c(n2)Br)CCSc3nc4ccccc4o3
Chemical ID:
5720023
Name [?]:
7-(2-benzooxazol-2-ylsulfanylethyl)-8-bromo-6-hydroxy-3-methyl-purin-2-one
SMILES [?]:
Cn1c2c(c(nc1=O)O)n(c(n2)Br)CCSc3nc4ccccc4o3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12BrN5O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3101
Area:558.164
Solvation:-2.64402
Coulombic:-71.4229
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:422.258
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.84
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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