Basic information
- Standard SMILES
CCN1Cc2cc(C)sc2C(Oc2cccc(Br)c2Cl)C1- InChIKey
VBUQHGVDLWUOKA-UHFFFAOYSA-N- Molecular formula
- C16H17BrClNOS
- Average molar mass
- 386.7 g/mol
Names & identifiers
- Preferred name
- 7-(3-Bromo-2-chlorophenyloxy)-5-ethyl-2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
- IUPAC
- 7-(3-bromo-2-chlorophenoxy)-5-ethyl-2-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
Names & synonyms
SCHEMBL2841599VBUQHGVDLWUOKA-UHFFFAOYSA-N7-(3-Bromo-2-chlorophenyloxy)-5-ethyl-2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Database identifiers
- PubChem CID
- 68412083
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
2 records
Compound notes
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