Basic information
- Standard SMILES
CCCCN(CCCC)CCOc1ccc(C=Cc2nc3ccccc3s2)cc1- InChIKey
YOMNNEKNBVZXEH-UHFFFAOYSA-N- Molecular formula
- C25H32N2OS
- Average molar mass
- 408.6 g/mol
Names & identifiers
- Preferred name
- N-[2-[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethyl]-N-butylbutan-1-amine
- IUPAC
- N-[2-[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethyl]-N-butylbutan-1-amine
Names & synonyms
SCHEMBL10569927
Database identifiers
- PubChem CID
- 54519092
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 456
Related reactions
1 records
Compound notes
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