Basic information
- Standard SMILES
CCc1ccc2sc(Cc3cc(Br)c4ccccc4c3)cc2c1- InChIKey
SQZPMQADGPZPCQ-UHFFFAOYSA-N- Molecular formula
- C21H17BrS
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.02343
Names & identifiers
- Preferred name
- 2-(4-Bromonaphthalen-2-ylmethyl)-5-ethylbenzo[b]thiophene
- IUPAC
- 2-[(4-bromonaphthalen-2-yl)methyl]-5-ethyl-1-benzothiophene
Names & synonyms
SCHEMBL1775705SQZPMQADGPZPCQ-UHFFFAOYSA-N2-(4-bromonaphtalen-2-ylmethyl)-5-ethylbenzo-[b]thiophene2-(4-Bromonaphthalen-2-ylmethyl)-5-ethylbenzo[b]thiophene
Database identifiers
- PubChem CID
- 67157260
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
3 records
Compound notes
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