Basic information
- Standard SMILES
CCc1c(CCN2CCC(c3nsc4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2- InChIKey
YDOADJIKFGQJMX-UHFFFAOYSA-N- Molecular formula
- C25H30FN3OS2
- Average molar mass
- 471.7 g/mol
Names & identifiers
- Preferred name
- 6-Acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
- IUPAC
- 1-[3-ethyl-2-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
Names & synonyms
SCHEMBL8918401YDOADJIKFGQJMX-UHFFFAOYSA-N6-acetyl-3-ethyl-2-(2-(4-(6-fluoro-1,2-benzisothiazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21472016
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 661
Related reactions
3 records
Compound notes
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