Basic information
- Standard SMILES
c1cc(OCCCNC2Cc3ccccc3C2)cc(-c2noc3ccsc23)c1- InChIKey
ZXXFITRPOZBJBT-UHFFFAOYSA-N- Molecular formula
- C23H22N2O2S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- Indan-2-yl-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
- IUPAC
- N-[3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propyl]-2,3-dihydro-1H-inden-2-amine
Names & synonyms
SCHEMBL1378118ZXXFITRPOZBJBT-UHFFFAOYSA-Nindan-2-yl-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
Database identifiers
- PubChem CID
- 21983585
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 493
Related reactions
2 records
Compound notes
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