N-(7-hexanoylpurin-6-yl)hexanamide
Basic information
- CAS
93993-27-2- Standard SMILES
CCCCCC(=O)Nc1ncnc2ncn(C(=O)CCCCC)c12- InChIKey
BMUGPSGSWCOOKS-UHFFFAOYSA-N- Molecular formula
- C17H25N5O2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.20082506
Names & identifiers
- Preferred name
- N-(7-hexanoylpurin-6-yl)hexanamide
- IUPAC
- N-(7-hexanoylpurin-6-yl)hexanamide
Names & synonyms
93993-27-2N-(7-hexanoylpurin-6-yl)hexanamideNSC47458DTXSID90286770NSC-47458N-(7-hexanoyl-7H-purin-6-yl)hexanamide
Database identifiers
- CAS
93993-27-2- PubChem CID
- 240785
- DTXSID
DTXSID90286770
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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