Basic information
- Standard SMILES
Cc1sc2c(c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCN(C)C2- InChIKey
DTHURPHWVNPGPM-UHFFFAOYSA-N- Molecular formula
- C23H28FN3OS
- Average molar mass
- 413.6 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
- IUPAC
- 3-[1-[2-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
Names & synonyms
DTHURPHWVNPGPM-UHFFFAOYSA-N2,6-dimethyl-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
- 53778128
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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