Basic information
- Standard SMILES
c1ccc(N2CCN(CCOc3cccc(-c4noc5ccsc45)c3)CC2)cc1- InChIKey
YCYNJGDVCCVPLU-UHFFFAOYSA-N- Molecular formula
- C23H23N3O2S
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- 3-{3-[2-(4-Phenyl-piperazin-1-yl)-ethoxy]-phenyl}-thieno[2,3-d]isoxazole
- IUPAC
- 3-[3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]thieno[2,3-d][1,2]oxazole
Names & synonyms
SCHEMBL1377237YCYNJGDVCCVPLU-UHFFFAOYSA-N3-{3-[2-(4-phenyl-piperazin-1-yl)-ethoxy]-phenyl}-thieno[2,3-d]isoxazole
Database identifiers
- PubChem CID
- 21983595
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
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