Basic information
- Standard SMILES
COC1(c2cccc(Sc3ccc4cc(Br)ccc4c3)c2)CCOCC1- InChIKey
MYQDOIRPDGKIKS-UHFFFAOYSA-N- Molecular formula
- C22H21BrO2S
- Average molar mass
- 429.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(6-Bromonaphth-2-ylthio)phenyl]-4-methoxytetrahydropyran
- IUPAC
- 4-[3-(6-bromonaphthalen-2-yl)sulfanylphenyl]-4-methoxyoxane
Names & synonyms
SCHEMBL9381728MYQDOIRPDGKIKS-UHFFFAOYSA-N4-[3-(6-bromonaphth-2-ylthio)phenyl]-4-methoxytetrahydropyran
Database identifiers
- PubChem CID
- 19764786
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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