Basic information
- Standard SMILES
CCc1sc2c(c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCN(C(C)=O)C2- InChIKey
RHFUZNAFMDZJOH-UHFFFAOYSA-N- Molecular formula
- C25H30FN3O2S
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.20427654
Names & identifiers
- Preferred name
- 6-Acetyl-2-ethyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
- IUPAC
- 1-[2-ethyl-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
Names & synonyms
SCHEMBL8920271RHFUZNAFMDZJOH-UHFFFAOYSA-N6-acetyl-2-ethyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21471841
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.8 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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