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Basic information
- Standard SMILES
C=CCCc1ncnc2scc(-c3ccc(F)cc3)c12- InChIKey
DSQDKPIOTLAMLN-UHFFFAOYSA-N- Molecular formula
- C16H13FN2S
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.07834776
Names & identifiers
- Preferred name
- 4-But-3-en-1-yl-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
- IUPAC
- 4-but-3-enyl-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
Names & synonyms
SCHEMBL3168258DSQDKPIOTLAMLN-UHFFFAOYSA-N4-But-3-en-1-yl-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 11623358
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
4 records
Compound notes
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