Basic information
- Standard SMILES
c1cncc(CNCCOc2cccc(-c3noc4ccsc34)c2)c1- InChIKey
JVTLVFKZOFOTMS-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2S
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- Pyridin-3-ylmethyl-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
- IUPAC
- N-(pyridin-3-ylmethyl)-2-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)ethanamine
Names & synonyms
SCHEMBL6070659JVTLVFKZOFOTMS-UHFFFAOYSA-Npyridin-3-ylmethyl-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
Database identifiers
- PubChem CID
- 21983571
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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