Basic information
- Standard SMILES
ClCCCOc1cccc(-c2noc3ccsc23)c1- InChIKey
KTGNDMLHYKIAQR-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2S
- Average molar mass
- 293.8 g/mol
Names & identifiers
- Preferred name
- 3-[3-(3-Chloro-propoxy)-phenyl]-thieno[2,3-d]isoxazole
- IUPAC
- 3-[3-(3-chloropropoxy)phenyl]thieno[2,3-d][1,2]oxazole
Names & synonyms
SCHEMBL6069791KTGNDMLHYKIAQR-UHFFFAOYSA-N(3-(3-chloro-propoxy)-phenyl]-thieno[2,3-d]isoxazole3-[3-(3-chloro-propoxy)-phenyl]-thieno[2,3-d]isoxazole
Database identifiers
- PubChem CID
- 21983556
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
21 records
Compound notes
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