Basic information
- CAS
646509-92-4- Standard SMILES
CCCCCCCCCCSc1ncnc2c1ncn2CC(N)=O- InChIKey
IEHMTODWSWMBJC-UHFFFAOYSA-N- Molecular formula
- C17H27N5OS
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.19363168
Names & identifiers
- Preferred name
- 2-(6-Decylsulfanylpurin-9-yl)acetamide
- IUPAC
- 2-(6-decylsulfanylpurin-9-yl)acetamide
Names & synonyms
2-(6-decylsulfanylpurin-9-yl)acetamide646509-92-42-(6-(Decylthio)-9H-purin-9-yl)acetamide6-Decylthio-9-acetamide-purineCHEMBL173137DTXSID303332172-[6-(Decylsulfanyl)-9H-purin-9-yl]acetamide
Database identifiers
- CAS
646509-92-4- PubChem CID
- 491850
- DTXSID
DTXSID30333217- ChEMBL
CHEMBL173137
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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