Basic information
- Standard SMILES
COc1ccc(Sc2cnc3ncc(-c4ccc(Br)c(F)c4)nn23)cc1- InChIKey
ULBFJLFPKDXQSK-UHFFFAOYSA-N- Molecular formula
- C18H12BrFN4OS
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromo-3-fluorophenyl)-7-[(4-methoxyphenyl)thio]imidazo[1,2-b][1,2,4]triazine
- IUPAC
- 2-(4-bromo-3-fluorophenyl)-7-(4-methoxyphenyl)sulfanylimidazo[1,2-b][1,2,4]triazine
Names & synonyms
2-(4-bromo-3-fluorophenyl)-7-[(4-methoxyphenyl)thio]imidazo[1,2-b][1,2,4]triazineSCHEMBL1951897CHEMBL5745211ULBFJLFPKDXQSK-UHFFFAOYSA-NBDBM388654US9944645, 8
Database identifiers
- PubChem CID
- 25145657
- ChEMBL
CHEMBL5745211
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
Loading…