Basic information
- Standard SMILES
CC(=O)N1CCc2c(sc(CCN3CCC(c4noc5cc(F)ccc45)CC3)c2C)C1- InChIKey
XUJCOCBLRZSMST-UHFFFAOYSA-N- Molecular formula
- C24H28FN3O2S
- Average molar mass
- 441.6 g/mol
Names & identifiers
- Preferred name
- 6-Acetyl-2-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-3-methylthieno[2,3-c]pyridine
- IUPAC
- 1-[2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
Names & synonyms
SCHEMBL8916632XUJCOCBLRZSMST-UHFFFAOYSA-NL0093886-acetyl-2-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-3-methylthieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21471812
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 646
Related reactions
3 records
Compound notes
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