Basic information
- Standard SMILES
NS(=O)(=O)c1ccc(CNCCCOc2cccc(-c3noc4ccsc34)c2)cc1- InChIKey
OZUWCAPNQFPAMA-UHFFFAOYSA-N- Molecular formula
- C21H21N3O4S2
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 4-{[3-(3-Thieno[2,3-d]isoxazol-3-yl-phenoxy)-propylamino]-methyl}-benzenesulfonamide
- IUPAC
- 4-[[3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propylamino]methyl]benzenesulfonamide
Names & synonyms
SCHEMBL6070225OZUWCAPNQFPAMA-UHFFFAOYSA-N4-{[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propylamino]-methyl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 21983572
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Related reactions
1 records
Compound notes
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