5-{4-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butoxy}nicotinic acid
Basic information
- Standard SMILES
O=C(O)c1cncc(OCCCCc2ncnc3scc(-c4ccc(F)cc4)c23)c1- InChIKey
LVVYRCRSMLLRCI-UHFFFAOYSA-N- Molecular formula
- C22H18FN3O3S
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.10529078
Names & identifiers
- Preferred name
- 5-{4-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butoxy}nicotinic acid
- IUPAC
- 5-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butoxy]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL3178157LVVYRCRSMLLRCI-UHFFFAOYSA-N5-{4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butoxy}nicotinic acid
Database identifiers
- PubChem CID
- 11655744
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
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Related reactions
1 records
Compound notes
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