Basic information
- Standard SMILES
Clc1nc2ccc(Br)cc2c(Cl)c1Cc1cc2ccccc2s1- InChIKey
RIMYFHNKNRVBMH-UHFFFAOYSA-N- Molecular formula
- C18H10BrCl2NS
- Average molar mass
- 423.2 g/mol
- Monoisotopic mass
- 420.90944
Names & identifiers
- Preferred name
- 3-(Benzo[b]thiophen-2-ylmethyl)-6-bromo-2,4-dichloroquinoline
- IUPAC
- 3-(1-benzothiophen-2-ylmethyl)-6-bromo-2,4-dichloroquinoline
Names & synonyms
SCHEMBL16461502RIMYFHNKNRVBMH-UHFFFAOYSA-N3-(Benzo[b]thiophen-2-ylmethyl)-6-bromo-2,4-dichloroquinoline
Database identifiers
- PubChem CID
- 86715591
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
3 records
Compound notes
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