Basic information
- Standard SMILES
CSc1nnc(C)c(=O)n1Cc1cc(F)ccc1Br- InChIKey
FVFNGDYJCBHSIS-UHFFFAOYSA-N- Molecular formula
- C12H11BrFN3OS
- Average molar mass
- 344.2 g/mol
Names & identifiers
- Preferred name
- 4-(2-bromo-5-fluorobenzyl)-6-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one
- IUPAC
- 4-[(2-bromo-5-fluorophenyl)methyl]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
Names & synonyms
SCHEMBL2017948FVFNGDYJCBHSIS-UHFFFAOYSA-N4-(2-bromo-5-fluorobenzyl)-6-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one
Database identifiers
- PubChem CID
- 58328530
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Related reactions
4 records
Compound notes
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