Basic information
- Standard SMILES
Cc1ccncc1N1CCc2sc3ccc(F)cc3c2C1=O- InChIKey
KSEIXXIELGDOEJ-UHFFFAOYSA-N- Molecular formula
- C17H13FN2OS
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.07326238
Names & identifiers
- Preferred name
- 8-Fluoro-2-(4-methylpyridine-3-yl) 3,4-dihydro-2H-benzo[4,5]thieno[3,2-c]pyridin-1-one
- IUPAC
- 8-fluoro-2-(4-methyl-3-pyridinyl)-3,4-dihydro-[1]benzothiolo[3,2-c]pyridin-1-one
Names & synonyms
SCHEMBL798823KSEIXXIELGDOEJ-UHFFFAOYSA-N8-Fluoro-2-(4-methylpyridine-3-yl) 3,4-dihydro-2H-benzo[4,5]thieno[3,2-c]pyridin-1-one8-Fluoro-2-(4-methylpyridine-3-yl)3,4-dihydro-2H-benzo[4,5]thieno[3,2-c]pyridin-1-one
Database identifiers
- PubChem CID
- 56940976
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
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