Basic information
- Standard SMILES
COc1ccc2c(C(=O)c3ccc(F)c(Br)c3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1- InChIKey
DXTMIABFOTZQNK-UHFFFAOYSA-N- Molecular formula
- C28H25BrFNO3S
- Average molar mass
- 554.5 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-4-fluorophenyl 6-methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone
- IUPAC
- (3-bromo-4-fluorophenyl)-[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone
Names & synonyms
SCHEMBL6595879DXTMIABFOTZQNK-UHFFFAOYSA-N3-bromo-4-fluorophenyl 6-methoxy-2-[4-[2-(1-pyrrolidinyl)-ethoxy]phenyl]benzo[b]thiophen-3-yl ketone3-bromo-4-fluorophenyl 6-methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone
Database identifiers
- PubChem CID
- 21182986
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 702
Related reactions
7 records
Compound notes
Loading…