Basic information
- Standard SMILES
Clc1ccc(CNCCCOc2cccc(-c3noc4ccsc34)c2)cc1- InChIKey
PRTUYIGWIBFHIQ-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O2S
- Average molar mass
- 398.9 g/mol
Names & identifiers
- Preferred name
- (4-Chloro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
- IUPAC
- N-[(4-chlorophenyl)methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine
Names & synonyms
SCHEMBL6070627PRTUYIGWIBFHIQ-UHFFFAOYSA-N(4-chloro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
Database identifiers
- PubChem CID
- 21983591
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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