Basic information
- Standard SMILES
COc1ccccc1CNCCOc1cccc(-c2noc3ccsc23)c1- InChIKey
LYAAEDFOMKFPJQ-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3S
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- (2-Methoxy-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
- IUPAC
- N-[(2-methoxyphenyl)methyl]-2-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)ethanamine
Names & synonyms
SCHEMBL6069831LYAAEDFOMKFPJQ-UHFFFAOYSA-N(2-methoxy-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
Database identifiers
- PubChem CID
- 21983563
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
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