Basic information
- Standard SMILES
COc1ccc(CNCCCOc2cccc(-c3noc4ccsc34)c2)cc1- InChIKey
KTDDBMJNECKJSD-UHFFFAOYSA-N- Molecular formula
- C22H22N2O3S
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- (4-Methoxy-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
- IUPAC
- N-[(4-methoxyphenyl)methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine
Names & synonyms
SCHEMBL6069829KTDDBMJNECKJSD-UHFFFAOYSA-N(4-methoxy-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
Database identifiers
- PubChem CID
- 21983580
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Related reactions
2 records
Compound notes
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