Basic information
- Standard SMILES
CCc1sc2c(c1CCN1CCC(c3csc4cc(F)ccc34)CC1)CCN(C(C)=O)C2- InChIKey
CBHIWQGQNSVMFZ-UHFFFAOYSA-N- Molecular formula
- C26H31FN2OS2
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.18618413
Names & identifiers
- Preferred name
- 6-Acetyl-3-(2-(4-(6-fluorobenzo(b)thiophen-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-2-ethylthieno[2,3-c]pyridine
- IUPAC
- 1-[2-ethyl-3-[2-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
Names & synonyms
SCHEMBL8916428CBHIWQGQNSVMFZ-UHFFFAOYSA-N6-acetyl-3-(2-(4-(6-fluorobenzo(b)thiophen-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-2-ethylthieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21472033
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 658
Related reactions
3 records
Compound notes
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