10-Dodecylbenzo[g]pteridine-2,4(3H,10H)-dione
Basic information
- CAS
79828-16-3- Standard SMILES
CCCCCCCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21- InChIKey
DYOODHYGYGNQRY-UHFFFAOYSA-N- Molecular formula
- C22H30N4O2
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.23687621
Names & identifiers
- Preferred name
- 10-Dodecylbenzo[g]pteridine-2,4(3H,10H)-dione
- IUPAC
- 10-dodecylbenzo[g]pteridine-2,4-dione
Names & synonyms
79828-16-310-Dodecylbenzo[g]pteridine-2,4(3H,10H)-dioneNSC353108DTXSID90319976NSC-353108
Database identifiers
- CAS
79828-16-3- PubChem CID
- 336922
- DTXSID
DTXSID90319976- Nikkaji
- J939.976C
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
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Compound notes
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