(2-Fluoro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine

HCID 21983554
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Basic information

Standard SMILES
Fc1ccccc1CNCCCOc1cccc(-c2noc3ccsc23)c1
InChIKey
VROSDZIVFLRWRA-UHFFFAOYSA-N
Molecular formula
C21H19FN2O2S
Average molar mass
382.5 g/mol

Names & identifiers

Preferred name
(2-Fluoro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
IUPAC
N-[(2-fluorophenyl)methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine

Names & synonyms

SCHEMBL6070066VROSDZIVFLRWRA-UHFFFAOYSA-N(2-fluoro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine

Database identifiers

PubChem CID
21983554

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
75.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
27

Related reactions

2 records
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Compound notes

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