Basic information
- Standard SMILES
CN1Cc2ccsc2C(Oc2ccc(Br)c3ccccc23)C1- InChIKey
BMZNOTRXIFAGFD-UHFFFAOYSA-N- Molecular formula
- C18H16BrNOS
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.0136
Names & identifiers
- Preferred name
- 7-(4-Bromonaphthalen-1-yloxy)-5-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
- IUPAC
- 7-(4-bromonaphthalen-1-yl)oxy-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
Names & synonyms
SCHEMBL2842497BMZNOTRXIFAGFD-UHFFFAOYSA-N7-(4-Bromonaphthalen-1-yloxy)-5-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Database identifiers
- PubChem CID
- 68412494
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
2 records
Compound notes
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