Basic information
- Standard SMILES
Cc1ccc(CNCCOc2cccc(-c3noc4ccsc34)c2)cc1- InChIKey
QQWUMALYSCTEDO-UHFFFAOYSA-N- Molecular formula
- C21H20N2O2S
- Average molar mass
- 364.5 g/mol
Names & identifiers
- Preferred name
- (4-Methyl-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
- IUPAC
- N-[(4-methylphenyl)methyl]-2-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)ethanamine
Names & synonyms
SCHEMBL6069952QQWUMALYSCTEDO-UHFFFAOYSA-NL020515(4-methyl-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
Database identifiers
- PubChem CID
- 21983586
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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