Basic information
- Standard SMILES
CCCC(=O)c1cnc2c(OC)csc2c1Nc1ccc(O)cc1C- InChIKey
KNDFKRWVZBCQHB-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3S
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- 6-Butyryl-7-(4-hydroxy-2-methylphenylamino)-3-methoxythieno[3,2-b]pyridine
- IUPAC
- 1-[7-(4-hydroxy-2-methylanilino)-3-methoxythieno[3,2-b]pyridin-6-yl]butan-1-one
Names & synonyms
SCHEMBL10472539KNDFKRWVZBCQHB-UHFFFAOYSA-N6-Butyryl-7-(4-hydroxy-2-methylphenylamino)-3-methoxythieno[3,2-b]pyridine
Database identifiers
- PubChem CID
- 23046151
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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