Basic information
- Standard SMILES
Clc1ccccc1CNCCCOc1cccc(-c2noc3ccsc23)c1- InChIKey
QWJVTRQMILXREN-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O2S
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.0855767
Names & identifiers
- Preferred name
- (2-Chloro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
- IUPAC
- N-[(2-chlorophenyl)methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine
Names & synonyms
SCHEMBL6070293QWJVTRQMILXREN-UHFFFAOYSA-N(2-chloro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
Database identifiers
- PubChem CID
- 21983574
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
- 458
Related reactions
2 records
Compound notes
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