Basic information
- Standard SMILES
c1cc(OCCN2CCc3ccccc3C2)cc(-c2noc3ccsc23)c1- InChIKey
VEDNFKURYKYUQG-UHFFFAOYSA-N- Molecular formula
- C22H20N2O2S
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 2-[2-(3-Thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenyl]thieno[2,3-d][1,2]oxazole
Names & synonyms
SCHEMBL1377248VEDNFKURYKYUQG-UHFFFAOYSA-N2-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 9951598
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Related reactions
2 records
Compound notes
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