Basic information
- Standard SMILES
CCCCCCCOc1ccc(-c2ncc(C#N)c(O)n2)cc1- InChIKey
IOQXFUOHBSLYFZ-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 5-Cyano-4-hydroxy-2-(4-n-heptyloxyphenyl)-pyrimidine
- IUPAC
- 2-(4-heptoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL11613047IOQXFUOHBSLYFZ-UHFFFAOYSA-N5-cyano-4-hydroxy-2-(4-n-heptyloxyphenyl)-pyrimidine
Database identifiers
- PubChem CID
- 21388809
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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