4-(2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluoroaniline
Basic information
- Standard SMILES
Nc1ccc(Oc2ccnc3cc(C4=CCC5(CC4)OCCO5)sc23)c(F)c1- InChIKey
LQCAGSFDQCXQPE-UHFFFAOYSA-N- Molecular formula
- C21H19FN2O3S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.11004181
Names & identifiers
- Preferred name
- 4-(2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluoroaniline
- IUPAC
- 4-[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
Names & synonyms
SCHEMBL2284736LQCAGSFDQCXQPE-UHFFFAOYSA-N4-(2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluoroaniline
Database identifiers
- PubChem CID
- 67348201
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 600
Related reactions
6 records
Compound notes
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