Basic information
- Standard SMILES
Cc1sc2c(c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCNC2- InChIKey
KLWYJWUJHCTRFA-UHFFFAOYSA-N- Molecular formula
- C22H26FN3OS
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
- IUPAC
- 6-fluoro-3-[1-[2-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
Names & synonyms
SCHEMBL8917641KLWYJWUJHCTRFA-UHFFFAOYSA-N3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21471990
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
Related reactions
7 records
Compound notes
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